diff --git "a/baselines/PubChem.csv" "b/baselines/PubChem.csv" --- "a/baselines/PubChem.csv" +++ "b/baselines/PubChem.csv" @@ -21,12 +21,29 @@ MUV,LogisticRegression,MUV-466,F1 score,0.25, MUV,LogisticRegression,MUV-466,recall,0.16666666666666666, MUV,LogisticRegression,MUV-466,precision,0.5, MUV,LogisticRegression,MUV-466,MCC,0.2880518564347137, -MUV,SimilaritySearch,MUV-466,AUROC,0.48852281933567376, -MUV,SimilaritySearch,MUV-466,BEDROC,0.008530630072840885, -MUV,SimilaritySearch,MUV-466,Enrichment factor 1%,0.0, -MUV,SimilaritySearch,MUV-466,Enrichment factor 5%,0.0, -MUV,SimilaritySearch,MUV-466,RIE,0.16788219195382817, -MUV,SimilaritySearch,MUV-466,AUPRC,0.0018525995744961418, +MUV,SimilaritySearch_Mean,MUV-466,AUROC,0.48852281933567376, +MUV,SimilaritySearch_Mean,MUV-466,BEDROC,0.008530630072840885, +MUV,SimilaritySearch_Mean,MUV-466,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Mean,MUV-466,Enrichment factor 5%,0.0, +MUV,SimilaritySearch_Mean,MUV-466,RIE,0.16788219195382817, +MUV,SimilaritySearch_Mean,MUV-466,AUPRC,0.0018525995744961418, +MUV,SimilaritySearch_Max,MUV-466,AUROC,0.6841974975245296, +MUV,SimilaritySearch_Max,MUV-466,BEDROC,0.3552739275740037, +MUV,SimilaritySearch_Max,MUV-466,Enrichment factor 1%,32.53508771929825, +MUV,SimilaritySearch_Max,MUV-466,Enrichment factor 5%,6.646953405017921, +MUV,SimilaritySearch_Max,MUV-466,RIE,6.991763875389704, +MUV,SimilaritySearch_Max,MUV-466,AUPRC,0.056520276217985166, +MUV,LightGBM_Ranker,MUV-466,AUROC,0.9019263660095418, +MUV,LightGBM_Ranker,MUV-466,BEDROC,0.5060387722669648, +MUV,LightGBM_Ranker,MUV-466,Enrichment factor 1%,32.53508771929825, +MUV,LightGBM_Ranker,MUV-466,Enrichment factor 5%,13.293906810035843, +MUV,LightGBM_Ranker,MUV-466,RIE,9.95880453521068, +MUV,LightGBM_Ranker,MUV-466,AUPRC,0.06786895860451699, +MUV,LightGBM_Ranker,MUV-466,accuracy,0.5017524939336748, +MUV,LightGBM_Ranker,MUV-466,F1 score,0.0064516129032258064, +MUV,LightGBM_Ranker,MUV-466,recall,1.0, +MUV,LightGBM_Ranker,MUV-466,precision,0.003236245954692557, +MUV,LightGBM_Ranker,MUV-466,MCC,0.04026390208303025, MUV,RandomForest,MUV-548,AUROC,0.750505207523706, MUV,RandomForest,MUV-548,BEDROC,0.32707751191618, MUV,RandomForest,MUV-548,Enrichment factor 1%,14.22007722007722, @@ -49,12 +66,29 @@ MUV,LogisticRegression,MUV-548,F1 score,0.0, MUV,LogisticRegression,MUV-548,recall,0.0, MUV,LogisticRegression,MUV-548,precision,0.0, MUV,LogisticRegression,MUV-548,MCC,0.0, -MUV,SimilaritySearch,MUV-548,AUROC,0.6716539717083786, -MUV,SimilaritySearch,MUV-548,BEDROC,0.11390476725719523, -MUV,SimilaritySearch,MUV-548,Enrichment factor 1%,0.0, -MUV,SimilaritySearch,MUV-548,Enrichment factor 5%,2.844015444015444, -MUV,SimilaritySearch,MUV-548,RIE,2.235340796766971, -MUV,SimilaritySearch,MUV-548,AUPRC,0.005130461255720068, +MUV,SimilaritySearch_Mean,MUV-548,AUROC,0.6716539717083786, +MUV,SimilaritySearch_Mean,MUV-548,BEDROC,0.11390476725719523, +MUV,SimilaritySearch_Mean,MUV-548,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Mean,MUV-548,Enrichment factor 5%,2.844015444015444, +MUV,SimilaritySearch_Mean,MUV-548,RIE,2.235340796766971, +MUV,SimilaritySearch_Mean,MUV-548,AUPRC,0.005130461255720068, +MUV,SimilaritySearch_Max,MUV-548,AUROC,0.695787346494637, +MUV,SimilaritySearch_Max,MUV-548,BEDROC,0.09395929030418708, +MUV,SimilaritySearch_Max,MUV-548,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Max,MUV-548,Enrichment factor 5%,2.844015444015444, +MUV,SimilaritySearch_Max,MUV-548,RIE,1.8439178688282178, +MUV,SimilaritySearch_Max,MUV-548,AUPRC,0.004560657592300556, +MUV,LightGBM_Ranker,MUV-548,AUROC,0.6821078812373698, +MUV,LightGBM_Ranker,MUV-548,BEDROC,0.1961335463782858, +MUV,LightGBM_Ranker,MUV-548,Enrichment factor 1%,14.22007722007722, +MUV,LightGBM_Ranker,MUV-548,Enrichment factor 5%,2.844015444015444, +MUV,LightGBM_Ranker,MUV-548,RIE,3.849051492191178, +MUV,LightGBM_Ranker,MUV-548,AUPRC,0.05203972134091557, +MUV,LightGBM_Ranker,MUV-548,accuracy,0.5009503122454521, +MUV,LightGBM_Ranker,MUV-548,F1 score,0.005411255411255411, +MUV,LightGBM_Ranker,MUV-548,recall,0.7142857142857143, +MUV,LightGBM_Ranker,MUV-548,precision,0.0027159152634437804, +MUV,LightGBM_Ranker,MUV-548,MCC,0.01871369538134528, MUV,RandomForest,MUV-600,AUROC,0.6591686756357414, MUV,RandomForest,MUV-600,BEDROC,0.16119111457622856, MUV,RandomForest,MUV-600,Enrichment factor 1%,0.0, @@ -77,12 +111,29 @@ MUV,LogisticRegression,MUV-600,F1 score,0.0, MUV,LogisticRegression,MUV-600,recall,0.0, MUV,LogisticRegression,MUV-600,precision,0.0, MUV,LogisticRegression,MUV-600,MCC,0.0, -MUV,SimilaritySearch,MUV-600,AUROC,0.6103118438447781, -MUV,SimilaritySearch,MUV-600,BEDROC,0.09204567650084071, -MUV,SimilaritySearch,MUV-600,Enrichment factor 1%,0.0, -MUV,SimilaritySearch,MUV-600,Enrichment factor 5%,2.8424710424710424, -MUV,SimilaritySearch,MUV-600,RIE,1.8063453395993168, -MUV,SimilaritySearch,MUV-600,AUPRC,0.0037290260518042136, +MUV,SimilaritySearch_Mean,MUV-600,AUROC,0.6103118438447781, +MUV,SimilaritySearch_Mean,MUV-600,BEDROC,0.09204567650084071, +MUV,SimilaritySearch_Mean,MUV-600,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Mean,MUV-600,Enrichment factor 5%,2.8424710424710424, +MUV,SimilaritySearch_Mean,MUV-600,RIE,1.8063453395993168, +MUV,SimilaritySearch_Mean,MUV-600,AUPRC,0.0037290260518042136, +MUV,SimilaritySearch_Max,MUV-600,AUROC,0.6236488062835368, +MUV,SimilaritySearch_Max,MUV-600,BEDROC,0.1710266808097283, +MUV,SimilaritySearch_Max,MUV-600,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Max,MUV-600,Enrichment factor 5%,2.8424710424710424, +MUV,SimilaritySearch_Max,MUV-600,RIE,3.3563036989186985, +MUV,SimilaritySearch_Max,MUV-600,AUPRC,0.0070489232792967935, +MUV,LightGBM_Ranker,MUV-600,AUROC,0.6394354148845167, +MUV,LightGBM_Ranker,MUV-600,BEDROC,0.16683278376412378, +MUV,LightGBM_Ranker,MUV-600,Enrichment factor 1%,0.0, +MUV,LightGBM_Ranker,MUV-600,Enrichment factor 5%,2.8424710424710424, +MUV,LightGBM_Ranker,MUV-600,RIE,3.2740007978497623, +MUV,LightGBM_Ranker,MUV-600,AUPRC,0.005908193875554494, +MUV,LightGBM_Ranker,MUV-600,accuracy,0.5009508285791905, +MUV,LightGBM_Ranker,MUV-600,F1 score,0.005414185165132647, +MUV,LightGBM_Ranker,MUV-600,recall,0.7142857142857143, +MUV,LightGBM_Ranker,MUV-600,precision,0.002717391304347826, +MUV,LightGBM_Ranker,MUV-600,MCC,0.018718794676451864, MUV,RandomForest,MUV-644,AUROC,0.7358043546365916, MUV,RandomForest,MUV-644,BEDROC,0.26603679811527725, MUV,RandomForest,MUV-644,Enrichment factor 1%,14.111969111969113, @@ -105,12 +156,29 @@ MUV,LogisticRegression,MUV-644,F1 score,0.0, MUV,LogisticRegression,MUV-644,recall,0.0, MUV,LogisticRegression,MUV-644,precision,0.0, MUV,LogisticRegression,MUV-644,MCC,0.0, -MUV,SimilaritySearch,MUV-644,AUROC,0.6111763784461152, -MUV,SimilaritySearch,MUV-644,BEDROC,0.035940584477758254, -MUV,SimilaritySearch,MUV-644,Enrichment factor 1%,0.0, -MUV,SimilaritySearch,MUV-644,Enrichment factor 5%,0.0, -MUV,SimilaritySearch,MUV-644,RIE,0.7052192600027946, -MUV,SimilaritySearch,MUV-644,AUPRC,0.0030190837238278055, +MUV,SimilaritySearch_Mean,MUV-644,AUROC,0.6111763784461152, +MUV,SimilaritySearch_Mean,MUV-644,BEDROC,0.035940584477758254, +MUV,SimilaritySearch_Mean,MUV-644,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Mean,MUV-644,Enrichment factor 5%,0.0, +MUV,SimilaritySearch_Mean,MUV-644,RIE,0.7052192600027946, +MUV,SimilaritySearch_Mean,MUV-644,AUPRC,0.0030190837238278055, +MUV,SimilaritySearch_Max,MUV-644,AUROC,0.7494125939849624, +MUV,SimilaritySearch_Max,MUV-644,BEDROC,0.2700064367081699, +MUV,SimilaritySearch_Max,MUV-644,Enrichment factor 1%,14.111969111969113, +MUV,SimilaritySearch_Max,MUV-644,Enrichment factor 5%,5.70647931303669, +MUV,SimilaritySearch_Max,MUV-644,RIE,5.298014276119346, +MUV,SimilaritySearch_Max,MUV-644,AUPRC,0.023799600539412324, +MUV,LightGBM_Ranker,MUV-644,AUROC,0.7997924498746868, +MUV,LightGBM_Ranker,MUV-644,BEDROC,0.31159590310640495, +MUV,LightGBM_Ranker,MUV-644,Enrichment factor 1%,14.111969111969113, +MUV,LightGBM_Ranker,MUV-644,Enrichment factor 5%,8.559718969555036, +MUV,LightGBM_Ranker,MUV-644,RIE,6.1140747658345695, +MUV,LightGBM_Ranker,MUV-644,AUPRC,0.022633837010901478, +MUV,LightGBM_Ranker,MUV-644,accuracy,0.5015047879616963, +MUV,LightGBM_Ranker,MUV-644,F1 score,0.006543075245365322, +MUV,LightGBM_Ranker,MUV-644,recall,0.8571428571428571, +MUV,LightGBM_Ranker,MUV-644,precision,0.003284072249589491, +MUV,LightGBM_Ranker,MUV-644,MCC,0.03130112196137873, MUV,RandomForest,MUV-652,AUROC,0.7281948820410359, MUV,RandomForest,MUV-652,BEDROC,0.32348786237510047, MUV,RandomForest,MUV-652,Enrichment factor 1%,28.007518796992482, @@ -133,12 +201,29 @@ MUV,LogisticRegression,MUV-652,F1 score,0.0, MUV,LogisticRegression,MUV-652,recall,0.0, MUV,LogisticRegression,MUV-652,precision,0.0, MUV,LogisticRegression,MUV-652,MCC,0.0, -MUV,SimilaritySearch,MUV-652,AUROC,0.4108583723968339, -MUV,SimilaritySearch,MUV-652,BEDROC,0.05269479744858553, -MUV,SimilaritySearch,MUV-652,Enrichment factor 1%,0.0, -MUV,SimilaritySearch,MUV-652,Enrichment factor 5%,0.0, -MUV,SimilaritySearch,MUV-652,RIE,1.0343370342336584, -MUV,SimilaritySearch,MUV-652,AUPRC,0.0022627717577525467, +MUV,SimilaritySearch_Mean,MUV-652,AUROC,0.4108583723968339, +MUV,SimilaritySearch_Mean,MUV-652,BEDROC,0.05269479744858553, +MUV,SimilaritySearch_Mean,MUV-652,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Mean,MUV-652,Enrichment factor 5%,0.0, +MUV,SimilaritySearch_Mean,MUV-652,RIE,1.0343370342336584, +MUV,SimilaritySearch_Mean,MUV-652,AUPRC,0.0022627717577525467, +MUV,SimilaritySearch_Max,MUV-652,AUROC,0.545954045954046, +MUV,SimilaritySearch_Max,MUV-652,BEDROC,0.16892669212583522, +MUV,SimilaritySearch_Max,MUV-652,Enrichment factor 1%,14.003759398496241, +MUV,SimilaritySearch_Max,MUV-652,Enrichment factor 5%,2.845683728036669, +MUV,SimilaritySearch_Max,MUV-652,RIE,3.3158326308058315, +MUV,SimilaritySearch_Max,MUV-652,AUPRC,0.026434725809955026, +MUV,LightGBM_Ranker,MUV-652,AUROC,0.7516329824022132, +MUV,LightGBM_Ranker,MUV-652,BEDROC,0.35837881236251495, +MUV,LightGBM_Ranker,MUV-652,Enrichment factor 1%,28.007518796992482, +MUV,LightGBM_Ranker,MUV-652,Enrichment factor 5%,8.537051184110007, +MUV,LightGBM_Ranker,MUV-652,RIE,7.034555269557145, +MUV,LightGBM_Ranker,MUV-652,AUPRC,0.033666243781830675, +MUV,LightGBM_Ranker,MUV-652,accuracy,0.5014765100671141, +MUV,LightGBM_Ranker,MUV-652,F1 score,0.006420545746388443, +MUV,LightGBM_Ranker,MUV-652,recall,0.8571428571428571, +MUV,LightGBM_Ranker,MUV-652,precision,0.00322234156820623, +MUV,LightGBM_Ranker,MUV-652,MCC,0.031004840488889948, MUV,RandomForest,MUV-689,AUROC,0.9013960236853457, MUV,RandomForest,MUV-689,BEDROC,0.390768253552298, MUV,RandomForest,MUV-689,Enrichment factor 1%,14.092664092664092, @@ -161,12 +246,29 @@ MUV,LogisticRegression,MUV-689,F1 score,0.0, MUV,LogisticRegression,MUV-689,recall,0.0, MUV,LogisticRegression,MUV-689,precision,0.0, MUV,LogisticRegression,MUV-689,MCC,0.0, -MUV,SimilaritySearch,MUV-689,AUROC,0.5175875455864476, -MUV,SimilaritySearch,MUV-689,BEDROC,0.014699669099653593, -MUV,SimilaritySearch,MUV-689,Enrichment factor 1%,0.0, -MUV,SimilaritySearch,MUV-689,Enrichment factor 5%,0.0, -MUV,SimilaritySearch,MUV-689,RIE,0.28842659572348267, -MUV,SimilaritySearch,MUV-689,AUPRC,0.0024185137502465088, +MUV,SimilaritySearch_Mean,MUV-689,AUROC,0.5175875455864476, +MUV,SimilaritySearch_Mean,MUV-689,BEDROC,0.014699669099653593, +MUV,SimilaritySearch_Mean,MUV-689,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Mean,MUV-689,Enrichment factor 5%,0.0, +MUV,SimilaritySearch_Mean,MUV-689,RIE,0.28842659572348267, +MUV,SimilaritySearch_Mean,MUV-689,AUPRC,0.0024185137502465088, +MUV,SimilaritySearch_Max,MUV-689,AUROC,0.6937178934159445, +MUV,SimilaritySearch_Max,MUV-689,BEDROC,0.2580540995539015, +MUV,SimilaritySearch_Max,MUV-689,Enrichment factor 1%,14.092664092664092, +MUV,SimilaritySearch_Max,MUV-689,Enrichment factor 5%,5.698672911787666, +MUV,SimilaritySearch_Max,MUV-689,RIE,5.063355829001794, +MUV,SimilaritySearch_Max,MUV-689,AUPRC,0.012532637655874368, +MUV,LightGBM_Ranker,MUV-689,AUROC,0.8370259989804321, +MUV,LightGBM_Ranker,MUV-689,BEDROC,0.24235064453836594, +MUV,LightGBM_Ranker,MUV-689,Enrichment factor 1%,14.092664092664092, +MUV,LightGBM_Ranker,MUV-689,Enrichment factor 5%,2.849336455893833, +MUV,LightGBM_Ranker,MUV-689,RIE,4.755233695054251, +MUV,LightGBM_Ranker,MUV-689,AUPRC,0.023160425415210732, +MUV,LightGBM_Ranker,MUV-689,accuracy,0.5013698630136987, +MUV,LightGBM_Ranker,MUV-689,F1 score,0.006550218340611353, +MUV,LightGBM_Ranker,MUV-689,recall,0.8571428571428571, +MUV,LightGBM_Ranker,MUV-689,precision,0.0032876712328767125, +MUV,LightGBM_Ranker,MUV-689,MCC,0.03131060062693068, MUV,RandomForest,MUV-692,AUROC,0.4176410777834265, MUV,RandomForest,MUV-692,BEDROC,0.09927681421564336, MUV,RandomForest,MUV-692,Enrichment factor 1%,0.0, @@ -189,12 +291,29 @@ MUV,LogisticRegression,MUV-692,F1 score,0.0, MUV,LogisticRegression,MUV-692,recall,0.0, MUV,LogisticRegression,MUV-692,precision,0.0, MUV,LogisticRegression,MUV-692,MCC,0.0, -MUV,SimilaritySearch,MUV-692,AUROC,0.5498416174572758, -MUV,SimilaritySearch,MUV-692,BEDROC,0.10177975047038264, -MUV,SimilaritySearch,MUV-692,Enrichment factor 1%,0.0, -MUV,SimilaritySearch,MUV-692,Enrichment factor 5%,2.857142857142857, -MUV,SimilaritySearch,MUV-692,RIE,1.9971545979239296, -MUV,SimilaritySearch,MUV-692,AUPRC,0.004023818179766316, +MUV,SimilaritySearch_Mean,MUV-692,AUROC,0.5498416174572758, +MUV,SimilaritySearch_Mean,MUV-692,BEDROC,0.10177975047038264, +MUV,SimilaritySearch_Mean,MUV-692,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Mean,MUV-692,Enrichment factor 5%,2.857142857142857, +MUV,SimilaritySearch_Mean,MUV-692,RIE,1.9971545979239296, +MUV,SimilaritySearch_Mean,MUV-692,AUPRC,0.004023818179766316, +MUV,SimilaritySearch_Max,MUV-692,AUROC,0.5499589378592937, +MUV,SimilaritySearch_Max,MUV-692,BEDROC,0.05525123856512392, +MUV,SimilaritySearch_Max,MUV-692,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Max,MUV-692,Enrichment factor 5%,0.0, +MUV,SimilaritySearch_Max,MUV-692,RIE,1.084157374984364, +MUV,SimilaritySearch_Max,MUV-692,AUPRC,0.003156245518832138, +MUV,LightGBM_Ranker,MUV-692,AUROC,0.696218372374956, +MUV,LightGBM_Ranker,MUV-692,BEDROC,0.14767600737479938, +MUV,LightGBM_Ranker,MUV-692,Enrichment factor 1%,14.13127413127413, +MUV,LightGBM_Ranker,MUV-692,Enrichment factor 5%,2.857142857142857, +MUV,LightGBM_Ranker,MUV-692,RIE,2.897745512638256, +MUV,LightGBM_Ranker,MUV-692,AUPRC,0.014939534334753642, +MUV,LightGBM_Ranker,MUV-692,accuracy,0.5013661202185792, +MUV,LightGBM_Ranker,MUV-692,F1 score,0.0065323897659227, +MUV,LightGBM_Ranker,MUV-692,recall,0.8571428571428571, +MUV,LightGBM_Ranker,MUV-692,precision,0.003278688524590164, +MUV,LightGBM_Ranker,MUV-692,MCC,0.03126771524777473, MUV,RandomForest,MUV-712,AUROC,0.8580568249552951, MUV,RandomForest,MUV-712,BEDROC,0.5703875354960095, MUV,RandomForest,MUV-712,Enrichment factor 1%,27.814671814671815, @@ -217,12 +336,29 @@ MUV,LogisticRegression,MUV-712,F1 score,0.0, MUV,LogisticRegression,MUV-712,recall,0.0, MUV,LogisticRegression,MUV-712,precision,0.0, MUV,LogisticRegression,MUV-712,MCC,0.0, -MUV,SimilaritySearch,MUV-712,AUROC,0.6456189151599443, -MUV,SimilaritySearch,MUV-712,BEDROC,0.1494868618386904, -MUV,SimilaritySearch,MUV-712,Enrichment factor 1%,13.907335907335908, -MUV,SimilaritySearch,MUV-712,Enrichment factor 5%,2.8429360694554062, -MUV,SimilaritySearch,MUV-712,RIE,2.9323812691458544, -MUV,SimilaritySearch,MUV-712,AUPRC,0.026549139033442515, +MUV,SimilaritySearch_Mean,MUV-712,AUROC,0.6456189151599443, +MUV,SimilaritySearch_Mean,MUV-712,BEDROC,0.1494868618386904, +MUV,SimilaritySearch_Mean,MUV-712,Enrichment factor 1%,13.907335907335908, +MUV,SimilaritySearch_Mean,MUV-712,Enrichment factor 5%,2.8429360694554062, +MUV,SimilaritySearch_Mean,MUV-712,RIE,2.9323812691458544, +MUV,SimilaritySearch_Mean,MUV-712,AUPRC,0.026549139033442515, +MUV,SimilaritySearch_Max,MUV-712,AUROC,0.7539638386648122, +MUV,SimilaritySearch_Max,MUV-712,BEDROC,0.35097364891019533, +MUV,SimilaritySearch_Max,MUV-712,Enrichment factor 1%,27.814671814671815, +MUV,SimilaritySearch_Max,MUV-712,Enrichment factor 5%,5.6858721389108124, +MUV,SimilaritySearch_Max,MUV-712,RIE,6.884809359829802, +MUV,SimilaritySearch_Max,MUV-712,AUPRC,0.05775356778245457, +MUV,LightGBM_Ranker,MUV-712,AUROC,0.8238823763163122, +MUV,LightGBM_Ranker,MUV-712,BEDROC,0.4070119215014908, +MUV,LightGBM_Ranker,MUV-712,Enrichment factor 1%,27.814671814671815, +MUV,LightGBM_Ranker,MUV-712,Enrichment factor 5%,8.52880820836622, +MUV,LightGBM_Ranker,MUV-712,RIE,7.9840737134007265, +MUV,LightGBM_Ranker,MUV-712,AUPRC,0.20125050908371325, +MUV,LightGBM_Ranker,MUV-712,accuracy,0.5019433647973348, +MUV,LightGBM_Ranker,MUV-712,F1 score,0.007743362831858407, +MUV,LightGBM_Ranker,MUV-712,recall,1.0, +MUV,LightGBM_Ranker,MUV-712,precision,0.003886729594669628, +MUV,LightGBM_Ranker,MUV-712,MCC,0.044126509241073024, MUV,RandomForest,MUV-713,AUROC,0.6691434747365577, MUV,RandomForest,MUV-713,BEDROC,0.30040216784204804, MUV,RandomForest,MUV-713,Enrichment factor 1%,13.93984962406015, @@ -245,12 +381,29 @@ MUV,LogisticRegression,MUV-713,F1 score,0.0, MUV,LogisticRegression,MUV-713,recall,0.0, MUV,LogisticRegression,MUV-713,precision,0.0, MUV,LogisticRegression,MUV-713,MCC,0.0, -MUV,SimilaritySearch,MUV-713,AUROC,0.42749063959547606, -MUV,SimilaritySearch,MUV-713,BEDROC,0.02985564672314356, -MUV,SimilaritySearch,MUV-713,Enrichment factor 1%,0.0, -MUV,SimilaritySearch,MUV-713,Enrichment factor 5%,0.0, -MUV,SimilaritySearch,MUV-713,RIE,0.5859811560109119, -MUV,SimilaritySearch,MUV-713,AUPRC,0.002188047561978581, +MUV,SimilaritySearch_Mean,MUV-713,AUROC,0.42749063959547606, +MUV,SimilaritySearch_Mean,MUV-713,BEDROC,0.02985564672314356, +MUV,SimilaritySearch_Mean,MUV-713,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Mean,MUV-713,Enrichment factor 5%,0.0, +MUV,SimilaritySearch_Mean,MUV-713,RIE,0.5859811560109119, +MUV,SimilaritySearch_Mean,MUV-713,AUPRC,0.002188047561978581, +MUV,SimilaritySearch_Max,MUV-713,AUROC,0.5555255336395569, +MUV,SimilaritySearch_Max,MUV-713,BEDROC,0.14636223826678385, +MUV,SimilaritySearch_Max,MUV-713,Enrichment factor 1%,13.93984962406015, +MUV,SimilaritySearch_Max,MUV-713,Enrichment factor 5%,2.847926267281106, +MUV,SimilaritySearch_Max,MUV-713,RIE,2.872672947823035, +MUV,SimilaritySearch_Max,MUV-713,AUPRC,0.04992883629929645, +MUV,LightGBM_Ranker,MUV-713,AUROC,0.6712857528853206, +MUV,LightGBM_Ranker,MUV-713,BEDROC,0.25432446318744784, +MUV,LightGBM_Ranker,MUV-713,Enrichment factor 1%,13.93984962406015, +MUV,LightGBM_Ranker,MUV-713,Enrichment factor 5%,5.695852534562212, +MUV,LightGBM_Ranker,MUV-713,RIE,4.991663215076567, +MUV,LightGBM_Ranker,MUV-713,AUPRC,0.14849494497519292, +MUV,LightGBM_Ranker,MUV-713,accuracy,0.500269687162891, +MUV,LightGBM_Ranker,MUV-713,F1 score,0.004298764105319721, +MUV,LightGBM_Ranker,MUV-713,recall,0.5714285714285714, +MUV,LightGBM_Ranker,MUV-713,precision,0.002157497303128371, +MUV,LightGBM_Ranker,MUV-713,MCC,0.006212858141307904, MUV,RandomForest,MUV-733,AUROC,0.6486291486291486, MUV,RandomForest,MUV-733,BEDROC,0.11573856503053967, MUV,RandomForest,MUV-733,Enrichment factor 1%,0.0, @@ -273,12 +426,29 @@ MUV,LogisticRegression,MUV-733,F1 score,0.0, MUV,LogisticRegression,MUV-733,recall,0.0, MUV,LogisticRegression,MUV-733,precision,0.0, MUV,LogisticRegression,MUV-733,MCC,0.0, -MUV,SimilaritySearch,MUV-733,AUROC,0.471003471003471, -MUV,SimilaritySearch,MUV-733,BEDROC,0.002313402525906304, -MUV,SimilaritySearch,MUV-733,Enrichment factor 1%,0.0, -MUV,SimilaritySearch,MUV-733,Enrichment factor 5%,0.0, -MUV,SimilaritySearch,MUV-733,RIE,0.045396711028107925, -MUV,SimilaritySearch,MUV-733,AUPRC,0.002050640556565691, +MUV,SimilaritySearch_Mean,MUV-733,AUROC,0.471003471003471, +MUV,SimilaritySearch_Mean,MUV-733,BEDROC,0.002313402525906304, +MUV,SimilaritySearch_Mean,MUV-733,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Mean,MUV-733,Enrichment factor 5%,0.0, +MUV,SimilaritySearch_Mean,MUV-733,RIE,0.045396711028107925, +MUV,SimilaritySearch_Mean,MUV-733,AUPRC,0.002050640556565691, +MUV,SimilaritySearch_Max,MUV-733,AUROC,0.5211185211185211, +MUV,SimilaritySearch_Max,MUV-733,BEDROC,0.053515759477016214, +MUV,SimilaritySearch_Max,MUV-733,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Max,MUV-733,Enrichment factor 5%,0.0, +MUV,SimilaritySearch_Max,MUV-733,RIE,1.0501576313364749, +MUV,SimilaritySearch_Max,MUV-733,AUPRC,0.0029726327933243244, +MUV,LightGBM_Ranker,MUV-733,AUROC,0.6929136929136929, +MUV,LightGBM_Ranker,MUV-733,BEDROC,0.14389182588414542, +MUV,LightGBM_Ranker,MUV-733,Enrichment factor 1%,14.16988416988417, +MUV,LightGBM_Ranker,MUV-733,Enrichment factor 5%,2.8493788819875774, +MUV,LightGBM_Ranker,MUV-733,RIE,2.8236373120430254, +MUV,LightGBM_Ranker,MUV-733,AUPRC,0.008172590050361531, +MUV,LightGBM_Ranker,MUV-733,accuracy,0.5013623978201635, +MUV,LightGBM_Ranker,MUV-733,F1 score,0.006514657980456026, +MUV,LightGBM_Ranker,MUV-733,recall,0.8571428571428571, +MUV,LightGBM_Ranker,MUV-733,precision,0.0032697547683923707, +MUV,LightGBM_Ranker,MUV-733,MCC,0.031225005604498698, MUV,RandomForest,MUV-737,AUROC,0.5799844084973689, MUV,RandomForest,MUV-737,BEDROC,0.09835340997474704, MUV,RandomForest,MUV-737,Enrichment factor 1%,0.0, @@ -301,12 +471,29 @@ MUV,LogisticRegression,MUV-737,F1 score,0.0, MUV,LogisticRegression,MUV-737,recall,0.0, MUV,LogisticRegression,MUV-737,precision,0.0, MUV,LogisticRegression,MUV-737,MCC,0.0, -MUV,SimilaritySearch,MUV-737,AUROC,0.4740986162541415, -MUV,SimilaritySearch,MUV-737,BEDROC,0.12638067499860742, -MUV,SimilaritySearch,MUV-737,Enrichment factor 1%,14.177606177606178, -MUV,SimilaritySearch,MUV-737,Enrichment factor 5%,2.8509316770186333, -MUV,SimilaritySearch,MUV-737,RIE,2.480035760688309, -MUV,SimilaritySearch,MUV-737,AUPRC,0.006578624326964615, +MUV,SimilaritySearch_Mean,MUV-737,AUROC,0.4740986162541415, +MUV,SimilaritySearch_Mean,MUV-737,BEDROC,0.12638067499860742, +MUV,SimilaritySearch_Mean,MUV-737,Enrichment factor 1%,14.177606177606178, +MUV,SimilaritySearch_Mean,MUV-737,Enrichment factor 5%,2.8509316770186333, +MUV,SimilaritySearch_Mean,MUV-737,RIE,2.480035760688309, +MUV,SimilaritySearch_Mean,MUV-737,AUPRC,0.006578624326964615, +MUV,SimilaritySearch_Max,MUV-737,AUROC,0.5796530890664587, +MUV,SimilaritySearch_Max,MUV-737,BEDROC,0.12603306591801705, +MUV,SimilaritySearch_Max,MUV-737,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Max,MUV-737,Enrichment factor 5%,2.8509316770186333, +MUV,SimilaritySearch_Max,MUV-737,RIE,2.4732144414003137, +MUV,SimilaritySearch_Max,MUV-737,AUPRC,0.005327553929947536, +MUV,LightGBM_Ranker,MUV-737,AUROC,0.5338530500877022, +MUV,LightGBM_Ranker,MUV-737,BEDROC,0.04118763341057521, +MUV,LightGBM_Ranker,MUV-737,Enrichment factor 1%,0.0, +MUV,LightGBM_Ranker,MUV-737,Enrichment factor 5%,0.0, +MUV,LightGBM_Ranker,MUV-737,RIE,0.8082470467672287, +MUV,LightGBM_Ranker,MUV-737,AUPRC,0.002763926105270791, +MUV,LightGBM_Ranker,MUV-737,accuracy,0.5002723311546841, +MUV,LightGBM_Ranker,MUV-737,F1 score,0.004340748779164406, +MUV,LightGBM_Ranker,MUV-737,recall,0.5714285714285714, +MUV,LightGBM_Ranker,MUV-737,precision,0.002178649237472767, +MUV,LightGBM_Ranker,MUV-737,MCC,0.006243296931723269, MUV,RandomForest,MUV-810,AUROC,0.6912909154902038, MUV,RandomForest,MUV-810,BEDROC,0.19103200235035986, MUV,RandomForest,MUV-810,Enrichment factor 1%,14.13127413127413, @@ -329,12 +516,29 @@ MUV,LogisticRegression,MUV-810,F1 score,0.0, MUV,LogisticRegression,MUV-810,recall,0.0, MUV,LogisticRegression,MUV-810,precision,0.0, MUV,LogisticRegression,MUV-810,MCC,0.0, -MUV,SimilaritySearch,MUV-810,AUROC,0.5207852645575065, -MUV,SimilaritySearch,MUV-810,BEDROC,0.0247074326463251, -MUV,SimilaritySearch,MUV-810,Enrichment factor 1%,0.0, -MUV,SimilaritySearch,MUV-810,Enrichment factor 5%,0.0, -MUV,SimilaritySearch,MUV-810,RIE,0.48481712445903763, -MUV,SimilaritySearch,MUV-810,AUPRC,0.0024317837795838743, +MUV,SimilaritySearch_Mean,MUV-810,AUROC,0.5207852645575065, +MUV,SimilaritySearch_Mean,MUV-810,BEDROC,0.0247074326463251, +MUV,SimilaritySearch_Mean,MUV-810,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Mean,MUV-810,Enrichment factor 5%,0.0, +MUV,SimilaritySearch_Mean,MUV-810,RIE,0.48481712445903763, +MUV,SimilaritySearch_Mean,MUV-810,AUPRC,0.0024317837795838743, +MUV,SimilaritySearch_Max,MUV-810,AUROC,0.5242657698173712, +MUV,SimilaritySearch_Max,MUV-810,BEDROC,0.05243575401089228, +MUV,SimilaritySearch_Max,MUV-810,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Max,MUV-810,Enrichment factor 5%,0.0, +MUV,SimilaritySearch_Max,MUV-810,RIE,1.0289110437783104, +MUV,SimilaritySearch_Max,MUV-810,AUPRC,0.0026700004979192875, +MUV,LightGBM_Ranker,MUV-810,AUROC,0.6118258965234054, +MUV,LightGBM_Ranker,MUV-810,BEDROC,0.14926595293022354, +MUV,LightGBM_Ranker,MUV-810,Enrichment factor 1%,14.13127413127413, +MUV,LightGBM_Ranker,MUV-810,Enrichment factor 5%,2.857142857142857, +MUV,LightGBM_Ranker,MUV-810,RIE,2.928943928776798, +MUV,LightGBM_Ranker,MUV-810,AUPRC,0.07396560861367892, +MUV,LightGBM_Ranker,MUV-810,accuracy,0.5008196721311475, +MUV,LightGBM_Ranker,MUV-810,F1 score,0.005443658138268917, +MUV,LightGBM_Ranker,MUV-810,recall,0.7142857142857143, +MUV,LightGBM_Ranker,MUV-810,precision,0.00273224043715847, +MUV,LightGBM_Ranker,MUV-810,MCC,0.01876062914866484, MUV,RandomForest,MUV-832,AUROC,0.9819622847772616, MUV,RandomForest,MUV-832,BEDROC,0.7963556306090918, MUV,RandomForest,MUV-832,Enrichment factor 1%,70.77220077220078, @@ -357,12 +561,29 @@ MUV,LogisticRegression,MUV-832,F1 score,0.25, MUV,LogisticRegression,MUV-832,recall,0.14285714285714285, MUV,LogisticRegression,MUV-832,precision,1.0, MUV,LogisticRegression,MUV-832,MCC,0.3776549619926592, -MUV,SimilaritySearch,MUV-832,AUROC,0.6596259711865068, -MUV,SimilaritySearch,MUV-832,BEDROC,0.30273542233055134, -MUV,SimilaritySearch,MUV-832,Enrichment factor 1%,14.154440154440154, -MUV,SimilaritySearch,MUV-832,Enrichment factor 5%,5.692546583850932, -MUV,SimilaritySearch,MUV-832,RIE,5.940555314839636, -MUV,SimilaritySearch,MUV-832,AUPRC,0.03771937070455166, +MUV,SimilaritySearch_Mean,MUV-832,AUROC,0.6596259711865068, +MUV,SimilaritySearch_Mean,MUV-832,BEDROC,0.30273542233055134, +MUV,SimilaritySearch_Mean,MUV-832,Enrichment factor 1%,14.154440154440154, +MUV,SimilaritySearch_Mean,MUV-832,Enrichment factor 5%,5.692546583850932, +MUV,SimilaritySearch_Mean,MUV-832,RIE,5.940555314839636, +MUV,SimilaritySearch_Mean,MUV-832,AUPRC,0.03771937070455166, +MUV,SimilaritySearch_Max,MUV-832,AUROC,0.863428727599266, +MUV,SimilaritySearch_Max,MUV-832,BEDROC,0.505016569646548, +MUV,SimilaritySearch_Max,MUV-832,Enrichment factor 1%,28.30888030888031, +MUV,SimilaritySearch_Max,MUV-832,Enrichment factor 5%,11.385093167701864, +MUV,SimilaritySearch_Max,MUV-832,RIE,9.909903622445052, +MUV,SimilaritySearch_Max,MUV-832,AUPRC,0.04797277838821867, +MUV,LightGBM_Ranker,MUV-832,AUROC,0.9302307422012259, +MUV,LightGBM_Ranker,MUV-832,BEDROC,0.5979418916403392, +MUV,LightGBM_Ranker,MUV-832,Enrichment factor 1%,42.463320463320464, +MUV,LightGBM_Ranker,MUV-832,Enrichment factor 5%,14.231366459627328, +MUV,LightGBM_Ranker,MUV-832,RIE,11.733370487666724, +MUV,LightGBM_Ranker,MUV-832,AUPRC,0.13278654495130507, +MUV,LightGBM_Ranker,MUV-832,accuracy,0.5019094380796508, +MUV,LightGBM_Ranker,MUV-832,F1 score,0.007608695652173913, +MUV,LightGBM_Ranker,MUV-832,recall,1.0, +MUV,LightGBM_Ranker,MUV-832,precision,0.0038188761593016913, +MUV,LightGBM_Ranker,MUV-832,MCC,0.04373889583051063, MUV,RandomForest,MUV-846,AUROC,0.8017516543402101, MUV,RandomForest,MUV-846,BEDROC,0.5572070317347805, MUV,RandomForest,MUV-846,Enrichment factor 1%,42.59073359073359, @@ -385,12 +606,29 @@ MUV,LogisticRegression,MUV-846,F1 score,0.2, MUV,LogisticRegression,MUV-846,recall,0.14285714285714285, MUV,LogisticRegression,MUV-846,precision,0.3333333333333333, MUV,LogisticRegression,MUV-846,MCC,0.2172670819825674, -MUV,SimilaritySearch,MUV-846,AUROC,0.7974309069676918, -MUV,SimilaritySearch,MUV-846,BEDROC,0.2947878563216184, -MUV,SimilaritySearch,MUV-846,Enrichment factor 1%,0.0, -MUV,SimilaritySearch,MUV-846,Enrichment factor 5%,8.56444099378882, -MUV,SimilaritySearch,MUV-846,RIE,5.784929140792514, -MUV,SimilaritySearch,MUV-846,AUPRC,0.012999696165472988, +MUV,SimilaritySearch_Mean,MUV-846,AUROC,0.7974309069676918, +MUV,SimilaritySearch_Mean,MUV-846,BEDROC,0.2947878563216184, +MUV,SimilaritySearch_Mean,MUV-846,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Mean,MUV-846,Enrichment factor 5%,8.56444099378882, +MUV,SimilaritySearch_Mean,MUV-846,RIE,5.784929140792514, +MUV,SimilaritySearch_Mean,MUV-846,AUPRC,0.012999696165472988, +MUV,SimilaritySearch_Max,MUV-846,AUROC,0.8667769560140132, +MUV,SimilaritySearch_Max,MUV-846,BEDROC,0.5313434860946311, +MUV,SimilaritySearch_Max,MUV-846,Enrichment factor 1%,42.59073359073359, +MUV,SimilaritySearch_Max,MUV-846,Enrichment factor 5%,11.419254658385094, +MUV,SimilaritySearch_Max,MUV-846,RIE,10.427106614547895, +MUV,SimilaritySearch_Max,MUV-846,AUPRC,0.32057644310437444, +MUV,LightGBM_Ranker,MUV-846,AUROC,0.9654729466718568, +MUV,LightGBM_Ranker,MUV-846,BEDROC,0.6151702915965549, +MUV,LightGBM_Ranker,MUV-846,Enrichment factor 1%,42.59073359073359, +MUV,LightGBM_Ranker,MUV-846,Enrichment factor 5%,14.274068322981366, +MUV,LightGBM_Ranker,MUV-846,RIE,12.072127316745105, +MUV,LightGBM_Ranker,MUV-846,AUPRC,0.2902685424647059, +MUV,LightGBM_Ranker,MUV-846,accuracy,0.5020397062822953, +MUV,LightGBM_Ranker,MUV-846,F1 score,0.007588075880758808, +MUV,LightGBM_Ranker,MUV-846,recall,1.0, +MUV,LightGBM_Ranker,MUV-846,precision,0.003808487486398259, +MUV,LightGBM_Ranker,MUV-846,MCC,0.04368517692809313, MUV,RandomForest,MUV-852,AUROC,0.8188000781708032, MUV,RandomForest,MUV-852,BEDROC,0.26159400761805646, MUV,RandomForest,MUV-852,Enrichment factor 1%,14.138996138996138, @@ -413,12 +651,29 @@ MUV,LogisticRegression,MUV-852,F1 score,0.25, MUV,LogisticRegression,MUV-852,recall,0.14285714285714285, MUV,LogisticRegression,MUV-852,precision,1.0, MUV,LogisticRegression,MUV-852,MCC,0.3776546236829223, -MUV,SimilaritySearch,MUV-852,AUROC,0.7167090091850694, -MUV,SimilaritySearch,MUV-852,BEDROC,0.34088317968705745, -MUV,SimilaritySearch,MUV-852,Enrichment factor 1%,14.138996138996138, -MUV,SimilaritySearch,MUV-852,Enrichment factor 5%,8.529503105590063, -MUV,SimilaritySearch,MUV-852,RIE,6.6889873716126065, -MUV,SimilaritySearch,MUV-852,AUPRC,0.08281529435282911, +MUV,SimilaritySearch_Mean,MUV-852,AUROC,0.7167090091850694, +MUV,SimilaritySearch_Mean,MUV-852,BEDROC,0.34088317968705745, +MUV,SimilaritySearch_Mean,MUV-852,Enrichment factor 1%,14.138996138996138, +MUV,SimilaritySearch_Mean,MUV-852,Enrichment factor 5%,8.529503105590063, +MUV,SimilaritySearch_Mean,MUV-852,RIE,6.6889873716126065, +MUV,SimilaritySearch_Mean,MUV-852,AUPRC,0.08281529435282911, +MUV,SimilaritySearch_Max,MUV-852,AUROC,0.7110220832519054, +MUV,SimilaritySearch_Max,MUV-852,BEDROC,0.3549272595780554, +MUV,SimilaritySearch_Max,MUV-852,Enrichment factor 1%,28.277992277992276, +MUV,SimilaritySearch_Max,MUV-852,Enrichment factor 5%,8.529503105590063, +MUV,SimilaritySearch_Max,MUV-852,RIE,6.964567623277988, +MUV,SimilaritySearch_Max,MUV-852,AUPRC,0.03876441454378387, +MUV,LightGBM_Ranker,MUV-852,AUROC,0.8678522571819425, +MUV,LightGBM_Ranker,MUV-852,BEDROC,0.45423332322666704, +MUV,LightGBM_Ranker,MUV-852,Enrichment factor 1%,28.277992277992276, +MUV,LightGBM_Ranker,MUV-852,Enrichment factor 5%,8.529503105590063, +MUV,LightGBM_Ranker,MUV-852,RIE,8.913202936134937, +MUV,LightGBM_Ranker,MUV-852,AUPRC,0.16685645224950654, +MUV,LightGBM_Ranker,MUV-852,accuracy,0.5013653741125068, +MUV,LightGBM_Ranker,MUV-852,F1 score,0.006528835690968444, +MUV,LightGBM_Ranker,MUV-852,recall,0.8571428571428571, +MUV,LightGBM_Ranker,MUV-852,precision,0.0032768978700163844, +MUV,LightGBM_Ranker,MUV-852,MCC,0.03125915929871654, MUV,RandomForest,MUV-858,AUROC,0.6874273312146345, MUV,RandomForest,MUV-858,BEDROC,0.3897043682328676, MUV,RandomForest,MUV-858,Enrichment factor 1%,28.517374517374517, @@ -441,12 +696,29 @@ MUV,LogisticRegression,MUV-858,F1 score,0.0, MUV,LogisticRegression,MUV-858,recall,0.0, MUV,LogisticRegression,MUV-858,precision,0.0, MUV,LogisticRegression,MUV-858,MCC,-0.0017579657555991009, -MUV,SimilaritySearch,MUV-858,AUROC,0.4326796372374234, -MUV,SimilaritySearch,MUV-858,BEDROC,0.1096547303079922, -MUV,SimilaritySearch,MUV-858,Enrichment factor 1%,0.0, -MUV,SimilaritySearch,MUV-858,Enrichment factor 5%,2.851737451737452, -MUV,SimilaritySearch,MUV-858,RIE,2.1520453781816467, -MUV,SimilaritySearch,MUV-858,AUPRC,0.004237848088681201, +MUV,SimilaritySearch_Mean,MUV-858,AUROC,0.4326796372374234, +MUV,SimilaritySearch_Mean,MUV-858,BEDROC,0.1096547303079922, +MUV,SimilaritySearch_Mean,MUV-858,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Mean,MUV-858,Enrichment factor 5%,2.851737451737452, +MUV,SimilaritySearch_Mean,MUV-858,RIE,2.1520453781816467, +MUV,SimilaritySearch_Mean,MUV-858,AUPRC,0.004237848088681201, +MUV,SimilaritySearch_Max,MUV-858,AUROC,0.5142430819316332, +MUV,SimilaritySearch_Max,MUV-858,BEDROC,0.29487005105886654, +MUV,SimilaritySearch_Max,MUV-858,Enrichment factor 1%,28.517374517374517, +MUV,SimilaritySearch_Max,MUV-858,Enrichment factor 5%,5.703474903474904, +MUV,SimilaritySearch_Max,MUV-858,RIE,5.787016401219999, +MUV,SimilaritySearch_Max,MUV-858,AUPRC,0.16394681853850798, +MUV,LightGBM_Ranker,MUV-858,AUROC,0.6860708472211455, +MUV,LightGBM_Ranker,MUV-858,BEDROC,0.3559872626000561, +MUV,LightGBM_Ranker,MUV-858,Enrichment factor 1%,14.258687258687258, +MUV,LightGBM_Ranker,MUV-858,Enrichment factor 5%,8.555212355212356, +MUV,LightGBM_Ranker,MUV-858,RIE,6.9864813918076125, +MUV,LightGBM_Ranker,MUV-858,AUPRC,0.15424670145017955, +MUV,LightGBM_Ranker,MUV-858,accuracy,0.5009477389656106, +MUV,LightGBM_Ranker,MUV-858,F1 score,0.005396654074473826, +MUV,LightGBM_Ranker,MUV-858,recall,0.7142857142857143, +MUV,LightGBM_Ranker,MUV-858,precision,0.0027085590465872156, +MUV,LightGBM_Ranker,MUV-858,MCC,0.018688261269084513, MUV,RandomForest,MUV-859,AUROC,0.5762228260869565, MUV,RandomForest,MUV-859,BEDROC,0.03900047795227162, MUV,RandomForest,MUV-859,Enrichment factor 1%,0.0, @@ -469,12 +741,29 @@ MUV,LogisticRegression,MUV-859,F1 score,0.0, MUV,LogisticRegression,MUV-859,recall,0.0, MUV,LogisticRegression,MUV-859,precision,0.0, MUV,LogisticRegression,MUV-859,MCC,-0.0009408207838608629, -MUV,SimilaritySearch,MUV-859,AUROC,0.6580163043478261, -MUV,SimilaritySearch,MUV-859,BEDROC,0.04783485226138755, -MUV,SimilaritySearch,MUV-859,Enrichment factor 1%,0.0, -MUV,SimilaritySearch,MUV-859,Enrichment factor 5%,0.0, -MUV,SimilaritySearch,MUV-859,RIE,0.9412917852431488, -MUV,SimilaritySearch,MUV-859,AUPRC,0.0031991006152067634, +MUV,SimilaritySearch_Mean,MUV-859,AUROC,0.6580163043478261, +MUV,SimilaritySearch_Mean,MUV-859,BEDROC,0.04783485226138755, +MUV,SimilaritySearch_Mean,MUV-859,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Mean,MUV-859,Enrichment factor 5%,0.0, +MUV,SimilaritySearch_Mean,MUV-859,RIE,0.9412917852431488, +MUV,SimilaritySearch_Mean,MUV-859,AUPRC,0.0031991006152067634, +MUV,SimilaritySearch_Max,MUV-859,AUROC,0.5809782608695653, +MUV,SimilaritySearch_Max,MUV-859,BEDROC,0.07601139302081773, +MUV,SimilaritySearch_Max,MUV-859,Enrichment factor 1%,0.0, +MUV,SimilaritySearch_Max,MUV-859,Enrichment factor 5%,0.0, +MUV,SimilaritySearch_Max,MUV-859,RIE,1.495748293812567, +MUV,SimilaritySearch_Max,MUV-859,AUPRC,0.0031069155658612897, +MUV,LightGBM_Ranker,MUV-859,AUROC,0.5654438405797101, +MUV,LightGBM_Ranker,MUV-859,BEDROC,0.011528065816794497, +MUV,LightGBM_Ranker,MUV-859,Enrichment factor 1%,0.0, +MUV,LightGBM_Ranker,MUV-859,Enrichment factor 5%,0.0, +MUV,LightGBM_Ranker,MUV-859,RIE,0.22684872350189442, +MUV,LightGBM_Ranker,MUV-859,AUPRC,0.002354799571593773, +MUV,LightGBM_Ranker,MUV-859,accuracy,0.5005425935973955, +MUV,LightGBM_Ranker,MUV-859,F1 score,0.004326663061114116, +MUV,LightGBM_Ranker,MUV-859,recall,0.6666666666666666, +MUV,LightGBM_Ranker,MUV-859,precision,0.002170374389582203, +MUV,LightGBM_Ranker,MUV-859,MCC,0.013459547551454138, LIT-PCBA,RandomForest,ADRB2,AUROC,0.4948323070792251, LIT-PCBA,RandomForest,ADRB2,BEDROC,0.8132659599060811, LIT-PCBA,RandomForest,ADRB2,Enrichment factor 1%,0.0, @@ -497,18 +786,35 @@ LIT-PCBA,LogisticRegression,ADRB2,F1 score,0.0, LIT-PCBA,LogisticRegression,ADRB2,recall,0.0, LIT-PCBA,LogisticRegression,ADRB2,precision,0.0, LIT-PCBA,LogisticRegression,ADRB2,MCC,0.0, -LIT-PCBA,SimilaritySearch,ADRB2,AUROC,0.5544118214189302, -LIT-PCBA,SimilaritySearch,ADRB2,BEDROC,0.06978116302950355, -LIT-PCBA,SimilaritySearch,ADRB2,Enrichment factor 1%,0.0, -LIT-PCBA,SimilaritySearch,ADRB2,Enrichment factor 5%,0.0, -LIT-PCBA,SimilaritySearch,ADRB2,RIE,1.394905957534113, -LIT-PCBA,SimilaritySearch,ADRB2,AUPRC,0.00010015265690999843, -LIT-PCBA,RandomForest,ALDH1,AUROC,0.7531934173765479, -LIT-PCBA,RandomForest,ALDH1,BEDROC,0.32074251953927607, +LIT-PCBA,SimilaritySearch_Mean,ADRB2,AUROC,0.5544118214189302, +LIT-PCBA,SimilaritySearch_Mean,ADRB2,BEDROC,0.06978116302950355, +LIT-PCBA,SimilaritySearch_Mean,ADRB2,Enrichment factor 1%,0.0, +LIT-PCBA,SimilaritySearch_Mean,ADRB2,Enrichment factor 5%,0.0, +LIT-PCBA,SimilaritySearch_Mean,ADRB2,RIE,1.394905957534113, +LIT-PCBA,SimilaritySearch_Mean,ADRB2,AUPRC,0.00010015265690999843, +LIT-PCBA,SimilaritySearch_Max,ADRB2,AUROC,0.6583987864920107, +LIT-PCBA,SimilaritySearch_Max,ADRB2,BEDROC,0.05465006415029918, +LIT-PCBA,SimilaritySearch_Max,ADRB2,Enrichment factor 1%,0.0, +LIT-PCBA,SimilaritySearch_Max,ADRB2,Enrichment factor 5%,0.0, +LIT-PCBA,SimilaritySearch_Max,ADRB2,RIE,1.0924395263334052, +LIT-PCBA,SimilaritySearch_Max,ADRB2,AUPRC,0.00010902821765060715, +LIT-PCBA,LightGBM_Ranker,ADRB2,AUROC,0.825969585170521, +LIT-PCBA,LightGBM_Ranker,ADRB2,BEDROC,0.25135243456011813, +LIT-PCBA,LightGBM_Ranker,ADRB2,Enrichment factor 1%,24.998393316195372, +LIT-PCBA,LightGBM_Ranker,ADRB2,Enrichment factor 5%,4.999678663239075, +LIT-PCBA,LightGBM_Ranker,ADRB2,RIE,5.024464851232086, +LIT-PCBA,LightGBM_Ranker,ADRB2,AUPRC,0.0024814485814652083, +LIT-PCBA,LightGBM_Ranker,ADRB2,accuracy,0.5000578443344688, +LIT-PCBA,LightGBM_Ranker,ADRB2,F1 score,0.0002056502403537184, +LIT-PCBA,LightGBM_Ranker,ADRB2,recall,1.0, +LIT-PCBA,LightGBM_Ranker,ADRB2,precision,0.00010283569426948094, +LIT-PCBA,LightGBM_Ranker,ADRB2,MCC,0.007170854342820139, +LIT-PCBA,RandomForest,ALDH1,AUROC,0.7531936087000507, +LIT-PCBA,RandomForest,ALDH1,BEDROC,0.32074326315600604, LIT-PCBA,RandomForest,ALDH1,Enrichment factor 1%,7.429283760154609, LIT-PCBA,RandomForest,ALDH1,Enrichment factor 5%,4.542069992553984, -LIT-PCBA,RandomForest,ALDH1,RIE,4.040995629679768, -LIT-PCBA,RandomForest,ALDH1,AUPRC,0.17615200510760468, +LIT-PCBA,RandomForest,ALDH1,RIE,4.041004998415499, +LIT-PCBA,RandomForest,ALDH1,AUPRC,0.1761525807187774, LIT-PCBA,RandomForest,ALDH1,accuracy,0.9488738738738739, LIT-PCBA,RandomForest,ALDH1,F1 score,0.09441489361702128, LIT-PCBA,RandomForest,ALDH1,recall,0.05286671630677588, @@ -525,12 +831,29 @@ LIT-PCBA,LogisticRegression,ALDH1,F1 score,0.025806451612903226, LIT-PCBA,LogisticRegression,ALDH1,recall,0.01340282948622487, LIT-PCBA,LogisticRegression,ALDH1,precision,0.34615384615384615, LIT-PCBA,LogisticRegression,ALDH1,MCC,0.05977670600324045, -LIT-PCBA,SimilaritySearch,ALDH1,AUROC,0.5434586332537732, -LIT-PCBA,SimilaritySearch,ALDH1,BEDROC,0.092352592323188, -LIT-PCBA,SimilaritySearch,ALDH1,Enrichment factor 1%,1.1886854016247375, -LIT-PCBA,SimilaritySearch,ALDH1,Enrichment factor 5%,1.2658227848101267, -LIT-PCBA,SimilaritySearch,ALDH1,RIE,1.1635390242589705, -LIT-PCBA,SimilaritySearch,ALDH1,AUPRC,0.05705818624429025, +LIT-PCBA,SimilaritySearch_Mean,ALDH1,AUROC,0.5434586332537732, +LIT-PCBA,SimilaritySearch_Mean,ALDH1,BEDROC,0.092352592323188, +LIT-PCBA,SimilaritySearch_Mean,ALDH1,Enrichment factor 1%,1.1886854016247375, +LIT-PCBA,SimilaritySearch_Mean,ALDH1,Enrichment factor 5%,1.2658227848101267, +LIT-PCBA,SimilaritySearch_Mean,ALDH1,RIE,1.1635390242589705, +LIT-PCBA,SimilaritySearch_Mean,ALDH1,AUPRC,0.05705818624429025, +LIT-PCBA,SimilaritySearch_Max,ALDH1,AUROC,0.6016706191649459, +LIT-PCBA,SimilaritySearch_Max,ALDH1,BEDROC,0.17960844518856775, +LIT-PCBA,SimilaritySearch_Max,ALDH1,Enrichment factor 1%,4.308984580889674, +LIT-PCBA,SimilaritySearch_Max,ALDH1,Enrichment factor 5%,2.4571854058078926, +LIT-PCBA,SimilaritySearch_Max,ALDH1,RIE,2.262864783715783, +LIT-PCBA,SimilaritySearch_Max,ALDH1,AUPRC,0.08681084975241139, +LIT-PCBA,LightGBM_Ranker,ALDH1,AUROC,0.5540012352434022, +LIT-PCBA,LightGBM_Ranker,ALDH1,BEDROC,0.11377093493371977, +LIT-PCBA,LightGBM_Ranker,ALDH1,Enrichment factor 1%,2.6745421536556595, +LIT-PCBA,LightGBM_Ranker,ALDH1,Enrichment factor 5%,1.533879374534624, +LIT-PCBA,LightGBM_Ranker,ALDH1,RIE,1.43338608876427, +LIT-PCBA,LightGBM_Ranker,ALDH1,AUPRC,0.06406869781486377, +LIT-PCBA,LightGBM_Ranker,ALDH1,accuracy,0.5080705705705706, +LIT-PCBA,LightGBM_Ranker,ALDH1,F1 score,0.10625383618631931, +LIT-PCBA,LightGBM_Ranker,ALDH1,recall,0.5800446760982875, +LIT-PCBA,LightGBM_Ranker,ALDH1,precision,0.058483483483483485, +LIT-PCBA,LightGBM_Ranker,ALDH1,MCC,0.036886372118273385, LIT-PCBA,RandomForest,ESR1_ago,AUROC,0.3683920704845815, LIT-PCBA,RandomForest,ESR1_ago,BEDROC,0.005263380620037863, LIT-PCBA,RandomForest,ESR1_ago,Enrichment factor 1%,0.0, @@ -553,12 +876,29 @@ LIT-PCBA,LogisticRegression,ESR1_ago,F1 score,0.0, LIT-PCBA,LogisticRegression,ESR1_ago,recall,0.0, LIT-PCBA,LogisticRegression,ESR1_ago,precision,0.0, LIT-PCBA,LogisticRegression,ESR1_ago,MCC,-0.0019054475859957942, -LIT-PCBA,SimilaritySearch,ESR1_ago,AUROC,0.5187224669603524, -LIT-PCBA,SimilaritySearch,ESR1_ago,BEDROC,0.09536275668660525, -LIT-PCBA,SimilaritySearch,ESR1_ago,Enrichment factor 1%,0.0, -LIT-PCBA,SimilaritySearch,ESR1_ago,Enrichment factor 5%,0.0, -LIT-PCBA,SimilaritySearch,ESR1_ago,RIE,1.8458041144959778, -LIT-PCBA,SimilaritySearch,ESR1_ago,AUPRC,0.008312345065144703, +LIT-PCBA,SimilaritySearch_Mean,ESR1_ago,AUROC,0.5187224669603524, +LIT-PCBA,SimilaritySearch_Mean,ESR1_ago,BEDROC,0.09536275668660525, +LIT-PCBA,SimilaritySearch_Mean,ESR1_ago,Enrichment factor 1%,0.0, +LIT-PCBA,SimilaritySearch_Mean,ESR1_ago,Enrichment factor 5%,0.0, +LIT-PCBA,SimilaritySearch_Mean,ESR1_ago,RIE,1.8458041144959778, +LIT-PCBA,SimilaritySearch_Mean,ESR1_ago,AUPRC,0.008312345065144703, +LIT-PCBA,SimilaritySearch_Max,ESR1_ago,AUROC,0.630690161527166, +LIT-PCBA,SimilaritySearch_Max,ESR1_ago,BEDROC,0.13098506392056347, +LIT-PCBA,SimilaritySearch_Max,ESR1_ago,Enrichment factor 1%,0.0, +LIT-PCBA,SimilaritySearch_Max,ESR1_ago,Enrichment factor 5%,6.601449275362319, +LIT-PCBA,SimilaritySearch_Max,ESR1_ago,RIE,2.535295505338054, +LIT-PCBA,SimilaritySearch_Max,ESR1_ago,AUPRC,0.01143460386759743, +LIT-PCBA,LightGBM_Ranker,ESR1_ago,AUROC,0.5822320117474302, +LIT-PCBA,LightGBM_Ranker,ESR1_ago,BEDROC,0.0003582595801750491, +LIT-PCBA,LightGBM_Ranker,ESR1_ago,Enrichment factor 1%,0.0, +LIT-PCBA,LightGBM_Ranker,ESR1_ago,Enrichment factor 5%,0.0, +LIT-PCBA,LightGBM_Ranker,ESR1_ago,RIE,0.0069343743652820295, +LIT-PCBA,LightGBM_Ranker,ESR1_ago,AUPRC,0.005070921819151711, +LIT-PCBA,LightGBM_Ranker,ESR1_ago,accuracy,0.5038419319429198, +LIT-PCBA,LightGBM_Ranker,ESR1_ago,F1 score,0.013100436681222707, +LIT-PCBA,LightGBM_Ranker,ESR1_ago,recall,1.0, +LIT-PCBA,LightGBM_Ranker,ESR1_ago,precision,0.006593406593406593, +LIT-PCBA,LightGBM_Ranker,ESR1_ago,MCC,0.05754325519741828, LIT-PCBA,RandomForest,ESR1_ant,AUROC,0.5394710327455919, LIT-PCBA,RandomForest,ESR1_ant,BEDROC,0.13657947655385622, LIT-PCBA,RandomForest,ESR1_ant,Enrichment factor 1%,3.64, @@ -581,12 +921,29 @@ LIT-PCBA,LogisticRegression,ESR1_ant,F1 score,0.0, LIT-PCBA,LogisticRegression,ESR1_ant,recall,0.0, LIT-PCBA,LogisticRegression,ESR1_ant,precision,0.0, LIT-PCBA,LogisticRegression,ESR1_ant,MCC,-0.006204161598790718, -LIT-PCBA,SimilaritySearch,ESR1_ant,AUROC,0.5302267002518891, -LIT-PCBA,SimilaritySearch,ESR1_ant,BEDROC,0.09131340671929872, -LIT-PCBA,SimilaritySearch,ESR1_ant,Enrichment factor 1%,3.64, -LIT-PCBA,SimilaritySearch,ESR1_ant,Enrichment factor 5%,1.598048780487805, -LIT-PCBA,SimilaritySearch,ESR1_ant,RIE,1.3668461733840576, -LIT-PCBA,SimilaritySearch,ESR1_ant,AUPRC,0.046789854393564936, +LIT-PCBA,SimilaritySearch_Mean,ESR1_ant,AUROC,0.5302267002518891, +LIT-PCBA,SimilaritySearch_Mean,ESR1_ant,BEDROC,0.09131340671929872, +LIT-PCBA,SimilaritySearch_Mean,ESR1_ant,Enrichment factor 1%,3.64, +LIT-PCBA,SimilaritySearch_Mean,ESR1_ant,Enrichment factor 5%,1.598048780487805, +LIT-PCBA,SimilaritySearch_Mean,ESR1_ant,RIE,1.3668461733840576, +LIT-PCBA,SimilaritySearch_Mean,ESR1_ant,AUPRC,0.046789854393564936, +LIT-PCBA,SimilaritySearch_Max,ESR1_ant,AUROC,0.5787153652392948, +LIT-PCBA,SimilaritySearch_Max,ESR1_ant,BEDROC,0.11714048700396389, +LIT-PCBA,SimilaritySearch_Max,ESR1_ant,Enrichment factor 1%,3.64, +LIT-PCBA,SimilaritySearch_Max,ESR1_ant,Enrichment factor 5%,1.598048780487805, +LIT-PCBA,SimilaritySearch_Max,ESR1_ant,RIE,1.7534448740330624, +LIT-PCBA,SimilaritySearch_Max,ESR1_ant,AUPRC,0.049860634876121815, +LIT-PCBA,LightGBM_Ranker,ESR1_ant,AUROC,0.5696221662468515, +LIT-PCBA,LightGBM_Ranker,ESR1_ant,BEDROC,0.1232740956210344, +LIT-PCBA,LightGBM_Ranker,ESR1_ant,Enrichment factor 1%,7.28, +LIT-PCBA,LightGBM_Ranker,ESR1_ant,Enrichment factor 5%,1.598048780487805, +LIT-PCBA,LightGBM_Ranker,ESR1_ant,RIE,1.8452572312764373, +LIT-PCBA,LightGBM_Ranker,ESR1_ant,AUPRC,0.055247262745083466, +LIT-PCBA,LightGBM_Ranker,ESR1_ant,accuracy,0.5067155067155067, +LIT-PCBA,LightGBM_Ranker,ESR1_ant,F1 score,0.06912442396313365, +LIT-PCBA,LightGBM_Ranker,ESR1_ant,recall,0.6, +LIT-PCBA,LightGBM_Ranker,ESR1_ant,precision,0.03667481662591687, +LIT-PCBA,LightGBM_Ranker,ESR1_ant,MCC,0.03570535722447224, LIT-PCBA,RandomForest,FEN1,AUROC,0.8236271761867816, LIT-PCBA,RandomForest,FEN1,BEDROC,0.6078142375643163, LIT-PCBA,RandomForest,FEN1,Enrichment factor 1%,43.92475492360682, @@ -609,12 +966,29 @@ LIT-PCBA,LogisticRegression,FEN1,F1 score,0.0, LIT-PCBA,LogisticRegression,FEN1,recall,0.0, LIT-PCBA,LogisticRegression,FEN1,precision,0.0, LIT-PCBA,LogisticRegression,FEN1,MCC,0.0, -LIT-PCBA,SimilaritySearch,FEN1,AUROC,0.516870262128868, -LIT-PCBA,SimilaritySearch,FEN1,BEDROC,0.09371948068098343, -LIT-PCBA,SimilaritySearch,FEN1,Enrichment factor 1%,0.0, -LIT-PCBA,SimilaritySearch,FEN1,Enrichment factor 5%,2.637302036199095, -LIT-PCBA,SimilaritySearch,FEN1,RIE,1.8549284139272073, -LIT-PCBA,SimilaritySearch,FEN1,AUPRC,0.0013693605428995931, +LIT-PCBA,SimilaritySearch_Mean,FEN1,AUROC,0.516870262128868, +LIT-PCBA,SimilaritySearch_Mean,FEN1,BEDROC,0.09371948068098343, +LIT-PCBA,SimilaritySearch_Mean,FEN1,Enrichment factor 1%,0.0, +LIT-PCBA,SimilaritySearch_Mean,FEN1,Enrichment factor 5%,2.637302036199095, +LIT-PCBA,SimilaritySearch_Mean,FEN1,RIE,1.8549284139272073, +LIT-PCBA,SimilaritySearch_Mean,FEN1,AUPRC,0.0013693605428995931, +LIT-PCBA,SimilaritySearch_Max,FEN1,AUROC,0.6723480781585144, +LIT-PCBA,SimilaritySearch_Max,FEN1,BEDROC,0.20873413820449757, +LIT-PCBA,SimilaritySearch_Max,FEN1,Enrichment factor 1%,9.883069857811533, +LIT-PCBA,SimilaritySearch_Max,FEN1,Enrichment factor 5%,4.835053733031675, +LIT-PCBA,SimilaritySearch_Max,FEN1,RIE,4.131338290690287, +LIT-PCBA,SimilaritySearch_Max,FEN1,AUPRC,0.012669591847016812, +LIT-PCBA,LightGBM_Ranker,FEN1,AUROC,0.7294944867891605, +LIT-PCBA,LightGBM_Ranker,FEN1,BEDROC,0.23266928446493176, +LIT-PCBA,LightGBM_Ranker,FEN1,Enrichment factor 1%,12.079307603991875, +LIT-PCBA,LightGBM_Ranker,FEN1,Enrichment factor 5%,5.7141544117647065, +LIT-PCBA,LightGBM_Ranker,FEN1,RIE,4.605070982872428, +LIT-PCBA,LightGBM_Ranker,FEN1,AUPRC,0.005279779246431106, +LIT-PCBA,LightGBM_Ranker,FEN1,accuracy,0.5006433971368828, +LIT-PCBA,LightGBM_Ranker,FEN1,F1 score,0.0033479327661721206, +LIT-PCBA,LightGBM_Ranker,FEN1,recall,0.8021978021978022, +LIT-PCBA,LightGBM_Ranker,FEN1,precision,0.001677466795349051, +LIT-PCBA,LightGBM_Ranker,FEN1,MCC,0.01955380156771838, LIT-PCBA,RandomForest,GBA,AUROC,0.6715517646180492, LIT-PCBA,RandomForest,GBA,BEDROC,0.5123768707783541, LIT-PCBA,RandomForest,GBA,Enrichment factor 1%,24.370003036129944, @@ -637,12 +1011,29 @@ LIT-PCBA,LogisticRegression,GBA,F1 score,0.0, LIT-PCBA,LogisticRegression,GBA,recall,0.0, LIT-PCBA,LogisticRegression,GBA,precision,0.0, LIT-PCBA,LogisticRegression,GBA,MCC,0.0, -LIT-PCBA,SimilaritySearch,GBA,AUROC,0.5764577173050502, -LIT-PCBA,SimilaritySearch,GBA,BEDROC,0.16944452247998282, -LIT-PCBA,SimilaritySearch,GBA,Enrichment factor 1%,9.748001214451978, -LIT-PCBA,SimilaritySearch,GBA,Enrichment factor 5%,3.4146341463414633, -LIT-PCBA,SimilaritySearch,GBA,RIE,3.3697293233686283, -LIT-PCBA,SimilaritySearch,GBA,AUPRC,0.010650895248310588, +LIT-PCBA,SimilaritySearch_Mean,GBA,AUROC,0.5764577173050502, +LIT-PCBA,SimilaritySearch_Mean,GBA,BEDROC,0.16944452247998282, +LIT-PCBA,SimilaritySearch_Mean,GBA,Enrichment factor 1%,9.748001214451978, +LIT-PCBA,SimilaritySearch_Mean,GBA,Enrichment factor 5%,3.4146341463414633, +LIT-PCBA,SimilaritySearch_Mean,GBA,RIE,3.3697293233686283, +LIT-PCBA,SimilaritySearch_Mean,GBA,AUPRC,0.010650895248310588, +LIT-PCBA,SimilaritySearch_Max,GBA,AUROC,0.6716395977378242, +LIT-PCBA,SimilaritySearch_Max,GBA,BEDROC,0.2817513344798959, +LIT-PCBA,SimilaritySearch_Max,GBA,Enrichment factor 1%,14.62200182167797, +LIT-PCBA,SimilaritySearch_Max,GBA,Enrichment factor 5%,6.829268292682927, +LIT-PCBA,SimilaritySearch_Max,GBA,RIE,5.603165656483823, +LIT-PCBA,SimilaritySearch_Max,GBA,AUPRC,0.006647275289387029, +LIT-PCBA,LightGBM_Ranker,GBA,AUROC,0.650518266079626, +LIT-PCBA,LightGBM_Ranker,GBA,BEDROC,0.25563718062711577, +LIT-PCBA,LightGBM_Ranker,GBA,Enrichment factor 1%,17.059002125290963, +LIT-PCBA,LightGBM_Ranker,GBA,Enrichment factor 5%,5.853658536585366, +LIT-PCBA,LightGBM_Ranker,GBA,RIE,5.083835626677577, +LIT-PCBA,LightGBM_Ranker,GBA,AUPRC,0.03034792568077112, +LIT-PCBA,LightGBM_Ranker,GBA,accuracy,0.500359911406423, +LIT-PCBA,LightGBM_Ranker,GBA,F1 score,0.001549100968188105, +LIT-PCBA,LightGBM_Ranker,GBA,recall,0.6829268292682927, +LIT-PCBA,LightGBM_Ranker,GBA,precision,0.000775429948212357, +LIT-PCBA,LightGBM_Ranker,GBA,MCC,0.00872559639204889, LIT-PCBA,RandomForest,IDH1,AUROC,0.545368322988338, LIT-PCBA,RandomForest,IDH1,BEDROC,0.6976454386506982, LIT-PCBA,RandomForest,IDH1,Enrichment factor 1%,11.098903836572, @@ -665,12 +1056,29 @@ LIT-PCBA,LogisticRegression,IDH1,F1 score,0.0, LIT-PCBA,LogisticRegression,IDH1,recall,0.0, LIT-PCBA,LogisticRegression,IDH1,precision,0.0, LIT-PCBA,LogisticRegression,IDH1,MCC,0.0, -LIT-PCBA,SimilaritySearch,IDH1,AUROC,0.5916115120654197, -LIT-PCBA,SimilaritySearch,IDH1,BEDROC,0.09905582348114375, -LIT-PCBA,SimilaritySearch,IDH1,Enrichment factor 1%,0.0, -LIT-PCBA,SimilaritySearch,IDH1,Enrichment factor 5%,2.221773389188111, -LIT-PCBA,SimilaritySearch,IDH1,RIE,1.9791167748699887, -LIT-PCBA,SimilaritySearch,IDH1,AUPRC,0.00020230303199972246, +LIT-PCBA,SimilaritySearch_Mean,IDH1,AUROC,0.5916115120654197, +LIT-PCBA,SimilaritySearch_Mean,IDH1,BEDROC,0.09905582348114375, +LIT-PCBA,SimilaritySearch_Mean,IDH1,Enrichment factor 1%,0.0, +LIT-PCBA,SimilaritySearch_Mean,IDH1,Enrichment factor 5%,2.221773389188111, +LIT-PCBA,SimilaritySearch_Mean,IDH1,RIE,1.9791167748699887, +LIT-PCBA,SimilaritySearch_Mean,IDH1,AUPRC,0.00020230303199972246, +LIT-PCBA,SimilaritySearch_Max,IDH1,AUROC,0.617894908815632, +LIT-PCBA,SimilaritySearch_Max,IDH1,BEDROC,0.1774350738738695, +LIT-PCBA,SimilaritySearch_Max,IDH1,Enrichment factor 1%,11.098903836572, +LIT-PCBA,SimilaritySearch_Max,IDH1,Enrichment factor 5%,4.443546778376222, +LIT-PCBA,SimilaritySearch_Max,IDH1,RIE,3.54511946474928, +LIT-PCBA,SimilaritySearch_Max,IDH1,AUPRC,0.0008107199415623242, +LIT-PCBA,LightGBM_Ranker,IDH1,AUROC,0.8219401199994512, +LIT-PCBA,LightGBM_Ranker,IDH1,BEDROC,0.22143336323064886, +LIT-PCBA,LightGBM_Ranker,IDH1,Enrichment factor 1%,11.098903836572, +LIT-PCBA,LightGBM_Ranker,IDH1,Enrichment factor 5%,2.221773389188111, +LIT-PCBA,LightGBM_Ranker,IDH1,RIE,4.424197015728238, +LIT-PCBA,LightGBM_Ranker,IDH1,AUPRC,0.0006313715701284322, +LIT-PCBA,LightGBM_Ranker,IDH1,accuracy,0.5000785616484479, +LIT-PCBA,LightGBM_Ranker,IDH1,F1 score,0.0003590664272890485, +LIT-PCBA,LightGBM_Ranker,IDH1,recall,0.8888888888888888, +LIT-PCBA,LightGBM_Ranker,IDH1,precision,0.0001795694821665058, +LIT-PCBA,LightGBM_Ranker,IDH1,MCC,0.007817267866998562, LIT-PCBA,RandomForest,KAT2A,AUROC,0.6088550402384384, LIT-PCBA,RandomForest,KAT2A,BEDROC,0.36007644280334317, LIT-PCBA,RandomForest,KAT2A,Enrichment factor 1%,14.567855738993712, @@ -693,12 +1101,29 @@ LIT-PCBA,LogisticRegression,KAT2A,F1 score,0.0, LIT-PCBA,LogisticRegression,KAT2A,recall,0.0, LIT-PCBA,LogisticRegression,KAT2A,precision,0.0, LIT-PCBA,LogisticRegression,KAT2A,MCC,0.0, -LIT-PCBA,SimilaritySearch,KAT2A,AUROC,0.4412931470632239, -LIT-PCBA,SimilaritySearch,KAT2A,BEDROC,0.059863825773647544, -LIT-PCBA,SimilaritySearch,KAT2A,Enrichment factor 1%,0.0, -LIT-PCBA,SimilaritySearch,KAT2A,Enrichment factor 5%,1.6664699401951528, -LIT-PCBA,SimilaritySearch,KAT2A,RIE,1.1905178754201415, -LIT-PCBA,SimilaritySearch,KAT2A,AUPRC,0.0005739289243155507, +LIT-PCBA,SimilaritySearch_Mean,KAT2A,AUROC,0.4412931470632239, +LIT-PCBA,SimilaritySearch_Mean,KAT2A,BEDROC,0.059863825773647544, +LIT-PCBA,SimilaritySearch_Mean,KAT2A,Enrichment factor 1%,0.0, +LIT-PCBA,SimilaritySearch_Mean,KAT2A,Enrichment factor 5%,1.6664699401951528, +LIT-PCBA,SimilaritySearch_Mean,KAT2A,RIE,1.1905178754201415, +LIT-PCBA,SimilaritySearch_Mean,KAT2A,AUPRC,0.0005739289243155507, +LIT-PCBA,SimilaritySearch_Max,KAT2A,AUROC,0.46451539159638716, +LIT-PCBA,SimilaritySearch_Max,KAT2A,BEDROC,0.06299213912495481, +LIT-PCBA,SimilaritySearch_Max,KAT2A,Enrichment factor 1%,0.0, +LIT-PCBA,SimilaritySearch_Max,KAT2A,Enrichment factor 5%,1.2498524551463646, +LIT-PCBA,SimilaritySearch_Max,KAT2A,RIE,1.252730952964445, +LIT-PCBA,SimilaritySearch_Max,KAT2A,AUPRC,0.0006183262284757977, +LIT-PCBA,LightGBM_Ranker,KAT2A,AUROC,0.5656987491436536, +LIT-PCBA,LightGBM_Ranker,KAT2A,BEDROC,0.12731000739677797, +LIT-PCBA,LightGBM_Ranker,KAT2A,Enrichment factor 1%,6.243366745283019, +LIT-PCBA,LightGBM_Ranker,KAT2A,Enrichment factor 5%,3.7495573654390935, +LIT-PCBA,LightGBM_Ranker,KAT2A,RIE,2.5318267713571605, +LIT-PCBA,LightGBM_Ranker,KAT2A,AUPRC,0.001096237930155861, +LIT-PCBA,LightGBM_Ranker,KAT2A,accuracy,0.5000944398536182, +LIT-PCBA,LightGBM_Ranker,KAT2A,F1 score,0.0013206612739664646, +LIT-PCBA,LightGBM_Ranker,KAT2A,recall,0.5833333333333334, +LIT-PCBA,LightGBM_Ranker,KAT2A,precision,0.0006610789753275883, +LIT-PCBA,LightGBM_Ranker,KAT2A,MCC,0.003968488319958149, LIT-PCBA,RandomForest,MAPK1,AUROC,0.7030760059612519, LIT-PCBA,RandomForest,MAPK1,BEDROC,0.16940037945711914, LIT-PCBA,RandomForest,MAPK1,Enrichment factor 1%,6.462725586102209, @@ -721,12 +1146,29 @@ LIT-PCBA,LogisticRegression,MAPK1,F1 score,0.0, LIT-PCBA,LogisticRegression,MAPK1,recall,0.0, LIT-PCBA,LogisticRegression,MAPK1,precision,0.0, LIT-PCBA,LogisticRegression,MAPK1,MCC,0.0, -LIT-PCBA,SimilaritySearch,MAPK1,AUROC,0.5917023632105599, -LIT-PCBA,SimilaritySearch,MAPK1,BEDROC,0.07361926570757828, -LIT-PCBA,SimilaritySearch,MAPK1,Enrichment factor 1%,1.2925451172204419, -LIT-PCBA,SimilaritySearch,MAPK1,Enrichment factor 5%,1.5571208452564385, -LIT-PCBA,SimilaritySearch,MAPK1,RIE,1.4008318616406905, -LIT-PCBA,SimilaritySearch,MAPK1,AUPRC,0.006769565179372945, +LIT-PCBA,SimilaritySearch_Mean,MAPK1,AUROC,0.5917023632105599, +LIT-PCBA,SimilaritySearch_Mean,MAPK1,BEDROC,0.07361926570757828, +LIT-PCBA,SimilaritySearch_Mean,MAPK1,Enrichment factor 1%,1.2925451172204419, +LIT-PCBA,SimilaritySearch_Mean,MAPK1,Enrichment factor 5%,1.5571208452564385, +LIT-PCBA,SimilaritySearch_Mean,MAPK1,RIE,1.4008318616406905, +LIT-PCBA,SimilaritySearch_Mean,MAPK1,AUPRC,0.006769565179372945, +LIT-PCBA,SimilaritySearch_Max,MAPK1,AUROC,0.6101141153928038, +LIT-PCBA,SimilaritySearch_Max,MAPK1,BEDROC,0.12113963284939024, +LIT-PCBA,SimilaritySearch_Max,MAPK1,Enrichment factor 1%,2.5850902344408837, +LIT-PCBA,SimilaritySearch_Max,MAPK1,Enrichment factor 5%,2.854721549636804, +LIT-PCBA,SimilaritySearch_Max,MAPK1,RIE,2.305052267380648, +LIT-PCBA,SimilaritySearch_Max,MAPK1,AUPRC,0.00907211995480686, +LIT-PCBA,LightGBM_Ranker,MAPK1,AUROC,0.6416265701511603, +LIT-PCBA,LightGBM_Ranker,MAPK1,BEDROC,0.1463293929086216, +LIT-PCBA,LightGBM_Ranker,MAPK1,Enrichment factor 1%,6.462725586102209, +LIT-PCBA,LightGBM_Ranker,MAPK1,Enrichment factor 5%,3.114241690512877, +LIT-PCBA,LightGBM_Ranker,MAPK1,RIE,2.7843645377020905, +LIT-PCBA,LightGBM_Ranker,MAPK1,AUPRC,0.029307782810982296, +LIT-PCBA,LightGBM_Ranker,MAPK1,accuracy,0.5019247080315783, +LIT-PCBA,LightGBM_Ranker,MAPK1,F1 score,0.013695090439276485, +LIT-PCBA,LightGBM_Ranker,MAPK1,recall,0.6883116883116883, +LIT-PCBA,LightGBM_Ranker,MAPK1,precision,0.006916351298447083, +LIT-PCBA,LightGBM_Ranker,MAPK1,MCC,0.026766583605444958, LIT-PCBA,RandomForest,MTORC1,AUROC,0.5463094949249868, LIT-PCBA,RandomForest,MTORC1,BEDROC,0.08930636882908963, LIT-PCBA,RandomForest,MTORC1,Enrichment factor 1%,4.150100401606426, @@ -749,12 +1191,29 @@ LIT-PCBA,LogisticRegression,MTORC1,F1 score,0.0, LIT-PCBA,LogisticRegression,MTORC1,recall,0.0, LIT-PCBA,LogisticRegression,MTORC1,precision,0.0, LIT-PCBA,LogisticRegression,MTORC1,MCC,-0.0005934925482958489, -LIT-PCBA,SimilaritySearch,MTORC1,AUROC,0.54338529661531, -LIT-PCBA,SimilaritySearch,MTORC1,BEDROC,0.07524070323613945, -LIT-PCBA,SimilaritySearch,MTORC1,Enrichment factor 1%,4.150100401606426, -LIT-PCBA,SimilaritySearch,MTORC1,Enrichment factor 5%,0.832024959742351, -LIT-PCBA,SimilaritySearch,MTORC1,RIE,1.4619610953123456, -LIT-PCBA,SimilaritySearch,MTORC1,AUPRC,0.004229970271230237, +LIT-PCBA,SimilaritySearch_Mean,MTORC1,AUROC,0.54338529661531, +LIT-PCBA,SimilaritySearch_Mean,MTORC1,BEDROC,0.07524070323613945, +LIT-PCBA,SimilaritySearch_Mean,MTORC1,Enrichment factor 1%,4.150100401606426, +LIT-PCBA,SimilaritySearch_Mean,MTORC1,Enrichment factor 5%,0.832024959742351, +LIT-PCBA,SimilaritySearch_Mean,MTORC1,RIE,1.4619610953123456, +LIT-PCBA,SimilaritySearch_Mean,MTORC1,AUPRC,0.004229970271230237, +LIT-PCBA,SimilaritySearch_Max,MTORC1,AUROC,0.5711967730195318, +LIT-PCBA,SimilaritySearch_Max,MTORC1,BEDROC,0.08531288847296867, +LIT-PCBA,SimilaritySearch_Max,MTORC1,Enrichment factor 1%,4.150100401606426, +LIT-PCBA,SimilaritySearch_Max,MTORC1,Enrichment factor 5%,2.496074879227053, +LIT-PCBA,SimilaritySearch_Max,MTORC1,RIE,1.6576682312134081, +LIT-PCBA,SimilaritySearch_Max,MTORC1,AUPRC,0.004798826522901787, +LIT-PCBA,LightGBM_Ranker,MTORC1,AUROC,0.5440070362732015, +LIT-PCBA,LightGBM_Ranker,MTORC1,BEDROC,0.06784101022117206, +LIT-PCBA,LightGBM_Ranker,MTORC1,Enrichment factor 1%,4.150100401606426, +LIT-PCBA,LightGBM_Ranker,MTORC1,Enrichment factor 5%,0.832024959742351, +LIT-PCBA,LightGBM_Ranker,MTORC1,RIE,1.3181816976488594, +LIT-PCBA,LightGBM_Ranker,MTORC1,AUPRC,0.0171763788022811, +LIT-PCBA,LightGBM_Ranker,MTORC1,accuracy,0.5003024071610016, +LIT-PCBA,LightGBM_Ranker,MTORC1,F1 score,0.006254510464277123, +LIT-PCBA,LightGBM_Ranker,MTORC1,recall,0.5416666666666666, +LIT-PCBA,LightGBM_Ranker,MTORC1,precision,0.0031454149528187757, +LIT-PCBA,LightGBM_Ranker,MTORC1,MCC,0.0045031008462384035, LIT-PCBA,RandomForest,OPRK1,AUROC,0.4945401060779391, LIT-PCBA,RandomForest,OPRK1,BEDROC,0.8038229133601184, LIT-PCBA,RandomForest,OPRK1,Enrichment factor 1%,0.0, @@ -777,12 +1236,29 @@ LIT-PCBA,LogisticRegression,OPRK1,F1 score,0.0, LIT-PCBA,LogisticRegression,OPRK1,recall,0.0, LIT-PCBA,LogisticRegression,OPRK1,precision,0.0, LIT-PCBA,LogisticRegression,OPRK1,MCC,0.0, -LIT-PCBA,SimilaritySearch,OPRK1,AUROC,0.5347600865659372, -LIT-PCBA,SimilaritySearch,OPRK1,BEDROC,0.01300746715850912, -LIT-PCBA,SimilaritySearch,OPRK1,Enrichment factor 1%,0.0, -LIT-PCBA,SimilaritySearch,OPRK1,Enrichment factor 5%,0.0, -LIT-PCBA,SimilaritySearch,OPRK1,RIE,0.2599176427734596, -LIT-PCBA,SimilaritySearch,OPRK1,AUPRC,0.00011306679877435514, +LIT-PCBA,SimilaritySearch_Mean,OPRK1,AUROC,0.5347600865659372, +LIT-PCBA,SimilaritySearch_Mean,OPRK1,BEDROC,0.01300746715850912, +LIT-PCBA,SimilaritySearch_Mean,OPRK1,Enrichment factor 1%,0.0, +LIT-PCBA,SimilaritySearch_Mean,OPRK1,Enrichment factor 5%,0.0, +LIT-PCBA,SimilaritySearch_Mean,OPRK1,RIE,0.2599176427734596, +LIT-PCBA,SimilaritySearch_Mean,OPRK1,AUPRC,0.00011306679877435514, +LIT-PCBA,SimilaritySearch_Max,OPRK1,AUROC,0.4377893991392929, +LIT-PCBA,SimilaritySearch_Max,OPRK1,BEDROC,0.00039420207999030444, +LIT-PCBA,SimilaritySearch_Max,OPRK1,Enrichment factor 1%,0.0, +LIT-PCBA,SimilaritySearch_Max,OPRK1,Enrichment factor 5%,0.0, +LIT-PCBA,SimilaritySearch_Max,OPRK1,RIE,0.00787705973654673, +LIT-PCBA,SimilaritySearch_Max,OPRK1,AUPRC,8.68670414261679e-05, +LIT-PCBA,LightGBM_Ranker,OPRK1,AUROC,0.6299516657009712, +LIT-PCBA,LightGBM_Ranker,OPRK1,BEDROC,0.03385579172212013, +LIT-PCBA,LightGBM_Ranker,OPRK1,Enrichment factor 1%,0.0, +LIT-PCBA,LightGBM_Ranker,OPRK1,Enrichment factor 5%,0.0, +LIT-PCBA,LightGBM_Ranker,OPRK1,RIE,0.6765126992988524, +LIT-PCBA,LightGBM_Ranker,OPRK1,AUPRC,0.00015184259857538724, +LIT-PCBA,LightGBM_Ranker,OPRK1,accuracy,0.5000817054148406, +LIT-PCBA,LightGBM_Ranker,OPRK1,F1 score,0.0002970708811122334, +LIT-PCBA,LightGBM_Ranker,OPRK1,recall,0.8333333333333334, +LIT-PCBA,LightGBM_Ranker,OPRK1,precision,0.00014856192060850963, +LIT-PCBA,LightGBM_Ranker,OPRK1,MCC,0.006294725975202367, LIT-PCBA,RandomForest,PKM2,AUROC,0.6211537682753859, LIT-PCBA,RandomForest,PKM2,BEDROC,0.17314693729179156, LIT-PCBA,RandomForest,PKM2,Enrichment factor 1%,5.142264994232987, @@ -805,12 +1281,29 @@ LIT-PCBA,LogisticRegression,PKM2,F1 score,0.0, LIT-PCBA,LogisticRegression,PKM2,recall,0.0, LIT-PCBA,LogisticRegression,PKM2,precision,0.0, LIT-PCBA,LogisticRegression,PKM2,MCC,0.0, -LIT-PCBA,SimilaritySearch,PKM2,AUROC,0.512843511689594, -LIT-PCBA,SimilaritySearch,PKM2,BEDROC,0.05307638255453292, -LIT-PCBA,SimilaritySearch,PKM2,Enrichment factor 1%,0.7346092848904268, -LIT-PCBA,SimilaritySearch,PKM2,Enrichment factor 5%,0.8821076828376871, -LIT-PCBA,SimilaritySearch,PKM2,RIE,1.0382624651811803, -LIT-PCBA,SimilaritySearch,PKM2,AUPRC,0.0024316590689381005, +LIT-PCBA,SimilaritySearch_Mean,PKM2,AUROC,0.512843511689594, +LIT-PCBA,SimilaritySearch_Mean,PKM2,BEDROC,0.05307638255453292, +LIT-PCBA,SimilaritySearch_Mean,PKM2,Enrichment factor 1%,0.7346092848904268, +LIT-PCBA,SimilaritySearch_Mean,PKM2,Enrichment factor 5%,0.8821076828376871, +LIT-PCBA,SimilaritySearch_Mean,PKM2,RIE,1.0382624651811803, +LIT-PCBA,SimilaritySearch_Mean,PKM2,AUPRC,0.0024316590689381005, +LIT-PCBA,SimilaritySearch_Max,PKM2,AUROC,0.5731307111334378, +LIT-PCBA,SimilaritySearch_Max,PKM2,BEDROC,0.06350281481050077, +LIT-PCBA,SimilaritySearch_Max,PKM2,Enrichment factor 1%,0.7346092848904268, +LIT-PCBA,SimilaritySearch_Max,PKM2,Enrichment factor 5%,1.176143577116916, +LIT-PCBA,SimilaritySearch_Max,PKM2,RIE,1.2422208417056193, +LIT-PCBA,SimilaritySearch_Max,PKM2,AUPRC,0.002783007931407979, +LIT-PCBA,LightGBM_Ranker,PKM2,AUROC,0.6404469978854885, +LIT-PCBA,LightGBM_Ranker,PKM2,BEDROC,0.0981407352584242, +LIT-PCBA,LightGBM_Ranker,PKM2,Enrichment factor 1%,1.4692185697808535, +LIT-PCBA,LightGBM_Ranker,PKM2,Enrichment factor 5%,2.2052692070942177, +LIT-PCBA,LightGBM_Ranker,PKM2,RIE,1.9197962430800894, +LIT-PCBA,LightGBM_Ranker,PKM2,AUPRC,0.003726953415191879, +LIT-PCBA,LightGBM_Ranker,PKM2,accuracy,0.5010221938733788, +LIT-PCBA,LightGBM_Ranker,PKM2,F1 score,0.006124376974948692, +LIT-PCBA,LightGBM_Ranker,PKM2,recall,0.6911764705882353, +LIT-PCBA,LightGBM_Ranker,PKM2,precision,0.0030758155819508525, +LIT-PCBA,LightGBM_Ranker,PKM2,MCC,0.018068995933223364, LIT-PCBA,RandomForest,PPARG,AUROC,0.5477158343012001, LIT-PCBA,RandomForest,PPARG,BEDROC,0.2666068325332022, LIT-PCBA,RandomForest,PPARG,Enrichment factor 1%,16.055555555555554, @@ -833,12 +1326,29 @@ LIT-PCBA,LogisticRegression,PPARG,F1 score,0.0, LIT-PCBA,LogisticRegression,PPARG,recall,0.0, LIT-PCBA,LogisticRegression,PPARG,precision,0.0, LIT-PCBA,LogisticRegression,PPARG,MCC,0.0, -LIT-PCBA,SimilaritySearch,PPARG,AUROC,0.5861401471157568, -LIT-PCBA,SimilaritySearch,PPARG,BEDROC,0.20629076122092824, -LIT-PCBA,SimilaritySearch,PPARG,Enrichment factor 1%,16.055555555555554, -LIT-PCBA,SimilaritySearch,PPARG,Enrichment factor 5%,3.2840909090909087, -LIT-PCBA,SimilaritySearch,PPARG,RIE,3.8530211867782183, -LIT-PCBA,SimilaritySearch,PPARG,AUPRC,0.0405243037334605, +LIT-PCBA,SimilaritySearch_Mean,PPARG,AUROC,0.5861401471157568, +LIT-PCBA,SimilaritySearch_Mean,PPARG,BEDROC,0.20629076122092824, +LIT-PCBA,SimilaritySearch_Mean,PPARG,Enrichment factor 1%,16.055555555555554, +LIT-PCBA,SimilaritySearch_Mean,PPARG,Enrichment factor 5%,3.2840909090909087, +LIT-PCBA,SimilaritySearch_Mean,PPARG,RIE,3.8530211867782183, +LIT-PCBA,SimilaritySearch_Mean,PPARG,AUPRC,0.0405243037334605, +LIT-PCBA,SimilaritySearch_Max,PPARG,AUROC,0.5718157181571816, +LIT-PCBA,SimilaritySearch_Max,PPARG,BEDROC,0.16811689981449687, +LIT-PCBA,SimilaritySearch_Max,PPARG,Enrichment factor 1%,0.0, +LIT-PCBA,SimilaritySearch_Max,PPARG,Enrichment factor 5%,3.2840909090909087, +LIT-PCBA,SimilaritySearch_Max,PPARG,RIE,3.140024180892702, +LIT-PCBA,SimilaritySearch_Max,PPARG,AUPRC,0.02086661971669693, +LIT-PCBA,LightGBM_Ranker,PPARG,AUROC,0.7409988385598142, +LIT-PCBA,LightGBM_Ranker,PPARG,BEDROC,0.27634469390516647, +LIT-PCBA,LightGBM_Ranker,PPARG,Enrichment factor 1%,0.0, +LIT-PCBA,LightGBM_Ranker,PPARG,Enrichment factor 5%,6.5681818181818175, +LIT-PCBA,LightGBM_Ranker,PPARG,RIE,5.161462156963966, +LIT-PCBA,LightGBM_Ranker,PPARG,AUPRC,0.044297791297999364, +LIT-PCBA,LightGBM_Ranker,PPARG,accuracy,0.5051903114186851, +LIT-PCBA,LightGBM_Ranker,PPARG,F1 score,0.022779043280182234, +LIT-PCBA,LightGBM_Ranker,PPARG,recall,0.8333333333333334, +LIT-PCBA,LightGBM_Ranker,PPARG,precision,0.011547344110854504, +LIT-PCBA,LightGBM_Ranker,PPARG,MCC,0.055748579341056204, LIT-PCBA,RandomForest,TP53,AUROC,0.5679245283018868, LIT-PCBA,RandomForest,TP53,BEDROC,0.12117201309525573, LIT-PCBA,RandomForest,TP53,Enrichment factor 1%,0.0, @@ -861,12 +1371,29 @@ LIT-PCBA,LogisticRegression,TP53,F1 score,0.0, LIT-PCBA,LogisticRegression,TP53,recall,0.0, LIT-PCBA,LogisticRegression,TP53,precision,0.0, LIT-PCBA,LogisticRegression,TP53,MCC,0.0, -LIT-PCBA,SimilaritySearch,TP53,AUROC,0.43679245283018864, -LIT-PCBA,SimilaritySearch,TP53,BEDROC,0.13234331337792454, -LIT-PCBA,SimilaritySearch,TP53,Enrichment factor 1%,11.26388888888889, -LIT-PCBA,SimilaritySearch,TP53,Enrichment factor 5%,2.472560975609756, -LIT-PCBA,SimilaritySearch,TP53,RIE,2.1870809889629133, -LIT-PCBA,SimilaritySearch,TP53,AUPRC,0.040649111183804404, +LIT-PCBA,SimilaritySearch_Mean,TP53,AUROC,0.43679245283018864, +LIT-PCBA,SimilaritySearch_Mean,TP53,BEDROC,0.13234331337792454, +LIT-PCBA,SimilaritySearch_Mean,TP53,Enrichment factor 1%,11.26388888888889, +LIT-PCBA,SimilaritySearch_Mean,TP53,Enrichment factor 5%,2.472560975609756, +LIT-PCBA,SimilaritySearch_Mean,TP53,RIE,2.1870809889629133, +LIT-PCBA,SimilaritySearch_Mean,TP53,AUPRC,0.040649111183804404, +LIT-PCBA,SimilaritySearch_Max,TP53,AUROC,0.5067216981132076, +LIT-PCBA,SimilaritySearch_Max,TP53,BEDROC,0.07997715949263283, +LIT-PCBA,SimilaritySearch_Max,TP53,Enrichment factor 1%,5.631944444444445, +LIT-PCBA,SimilaritySearch_Max,TP53,Enrichment factor 5%,1.236280487804878, +LIT-PCBA,SimilaritySearch_Max,TP53,RIE,1.3216876868170628, +LIT-PCBA,SimilaritySearch_Max,TP53,AUPRC,0.036302884846661894, +LIT-PCBA,LightGBM_Ranker,TP53,AUROC,0.6687893081761007, +LIT-PCBA,LightGBM_Ranker,TP53,BEDROC,0.14434474288389235, +LIT-PCBA,LightGBM_Ranker,TP53,Enrichment factor 1%,5.631944444444445, +LIT-PCBA,LightGBM_Ranker,TP53,Enrichment factor 5%,2.472560975609756, +LIT-PCBA,LightGBM_Ranker,TP53,RIE,2.3854143768491154, +LIT-PCBA,LightGBM_Ranker,TP53,AUPRC,0.04972097247370439, +LIT-PCBA,LightGBM_Ranker,TP53,accuracy,0.5080147965474723, +LIT-PCBA,LightGBM_Ranker,TP53,F1 score,0.052256532066508314, +LIT-PCBA,LightGBM_Ranker,TP53,recall,0.6875, +LIT-PCBA,LightGBM_Ranker,TP53,precision,0.027160493827160494, +LIT-PCBA,LightGBM_Ranker,TP53,MCC,0.05337448472157782, LIT-PCBA,RandomForest,VDR,AUROC,0.724899080680986, LIT-PCBA,RandomForest,VDR,BEDROC,0.2973415158604497, LIT-PCBA,RandomForest,VDR,Enrichment factor 1%,12.718696923291105, @@ -889,18 +1416,35 @@ LIT-PCBA,LogisticRegression,VDR,F1 score,0.0, LIT-PCBA,LogisticRegression,VDR,recall,0.0, LIT-PCBA,LogisticRegression,VDR,precision,0.0, LIT-PCBA,LogisticRegression,VDR,MCC,-0.00027873591359380256, -LIT-PCBA,SimilaritySearch,VDR,AUROC,0.3948357148476981, -LIT-PCBA,SimilaritySearch,VDR,BEDROC,0.030375470077955057, -LIT-PCBA,SimilaritySearch,VDR,Enrichment factor 1%,0.6056522344424335, -LIT-PCBA,SimilaritySearch,VDR,Enrichment factor 5%,0.7272281503357201, -LIT-PCBA,SimilaritySearch,VDR,RIE,0.5924042426198148, -LIT-PCBA,SimilaritySearch,VDR,AUPRC,0.0019762920778264234, -WELQRATE,RandomForest,AID1798,AUROC,0.6372081926690751,1.0 +LIT-PCBA,SimilaritySearch_Mean,VDR,AUROC,0.3948357148476981, +LIT-PCBA,SimilaritySearch_Mean,VDR,BEDROC,0.030375470077955057, +LIT-PCBA,SimilaritySearch_Mean,VDR,Enrichment factor 1%,0.6056522344424335, +LIT-PCBA,SimilaritySearch_Mean,VDR,Enrichment factor 5%,0.7272281503357201, +LIT-PCBA,SimilaritySearch_Mean,VDR,RIE,0.5924042426198148, +LIT-PCBA,SimilaritySearch_Mean,VDR,AUPRC,0.0019762920778264234, +LIT-PCBA,SimilaritySearch_Max,VDR,AUROC,0.5578522935023834, +LIT-PCBA,SimilaritySearch_Max,VDR,BEDROC,0.16281635282583817, +LIT-PCBA,SimilaritySearch_Max,VDR,Enrichment factor 1%,8.47913128219407, +LIT-PCBA,SimilaritySearch_Max,VDR,Enrichment factor 5%,3.5149360599559802, +LIT-PCBA,SimilaritySearch_Max,VDR,RIE,3.1753613140587524, +LIT-PCBA,SimilaritySearch_Max,VDR,AUPRC,0.013163389625668369, +LIT-PCBA,LightGBM_Ranker,VDR,AUROC,0.6276489837304696, +LIT-PCBA,LightGBM_Ranker,VDR,BEDROC,0.1104186167380169, +LIT-PCBA,LightGBM_Ranker,VDR,Enrichment factor 1%,3.6339134066546013, +LIT-PCBA,LightGBM_Ranker,VDR,Enrichment factor 5%,2.1816844510071602, +LIT-PCBA,LightGBM_Ranker,VDR,RIE,2.153463089376371, +LIT-PCBA,LightGBM_Ranker,VDR,AUPRC,0.011855088126133145, +LIT-PCBA,LightGBM_Ranker,VDR,accuracy,0.5008275101140125, +LIT-PCBA,LightGBM_Ranker,VDR,F1 score,0.006647962917784826, +LIT-PCBA,LightGBM_Ranker,VDR,recall,0.6606060606060606, +LIT-PCBA,LightGBM_Ranker,VDR,precision,0.003340791369111472, +LIT-PCBA,LightGBM_Ranker,VDR,MCC,0.01617390404228512, +WELQRATE,RandomForest,AID1798,AUROC,0.6372010174465534,1.0 WELQRATE,RandomForest,AID1798,BEDROC,0.17115981534246366,1.0 WELQRATE,RandomForest,AID1798,Enrichment factor 1%,8.65431218816821,1.0 WELQRATE,RandomForest,AID1798,Enrichment factor 5%,2.60483409610984,1.0 WELQRATE,RandomForest,AID1798,RIE,3.3591635801975266,1.0 -WELQRATE,RandomForest,AID1798,AUPRC,0.013712643202108805,1.0 +WELQRATE,RandomForest,AID1798,AUPRC,0.013712049361189286,1.0 WELQRATE,RandomForest,AID1798,accuracy,0.9980233898863449,1.0 WELQRATE,RandomForest,AID1798,F1 score,0.0,1.0 WELQRATE,RandomForest,AID1798,recall,0.0,1.0 @@ -917,12 +1461,29 @@ WELQRATE,LogisticRegression,AID1798,F1 score,0.0,1.0 WELQRATE,LogisticRegression,AID1798,recall,0.0,1.0 WELQRATE,LogisticRegression,AID1798,precision,0.0,1.0 WELQRATE,LogisticRegression,AID1798,MCC,0.0,1.0 -WELQRATE,SimilaritySearch,AID1798,AUROC,0.576713891589563,1.0 -WELQRATE,SimilaritySearch,AID1798,BEDROC,0.14371275781965798,1.0 -WELQRATE,SimilaritySearch,AID1798,Enrichment factor 1%,4.327156094084105,1.0 -WELQRATE,SimilaritySearch,AID1798,Enrichment factor 5%,2.60483409610984,1.0 -WELQRATE,SimilaritySearch,AID1798,RIE,2.820490675716053,1.0 -WELQRATE,SimilaritySearch,AID1798,AUPRC,0.0046742700895861106,1.0 +WELQRATE,SimilaritySearch_Mean,AID1798,AUROC,0.576713891589563,1.0 +WELQRATE,SimilaritySearch_Mean,AID1798,BEDROC,0.14371275781965798,1.0 +WELQRATE,SimilaritySearch_Mean,AID1798,Enrichment factor 1%,4.327156094084105,1.0 +WELQRATE,SimilaritySearch_Mean,AID1798,Enrichment factor 5%,2.60483409610984,1.0 +WELQRATE,SimilaritySearch_Mean,AID1798,RIE,2.820490675716053,1.0 +WELQRATE,SimilaritySearch_Mean,AID1798,AUPRC,0.0046742700895861106,1.0 +WELQRATE,SimilaritySearch_Max,AID1798,AUROC,0.634149754069248,1.0 +WELQRATE,SimilaritySearch_Max,AID1798,BEDROC,0.18041397374539442,1.0 +WELQRATE,SimilaritySearch_Max,AID1798,Enrichment factor 1%,8.65431218816821,1.0 +WELQRATE,SimilaritySearch_Max,AID1798,Enrichment factor 5%,2.60483409610984,1.0 +WELQRATE,SimilaritySearch_Max,AID1798,RIE,3.540784665856576,1.0 +WELQRATE,SimilaritySearch_Max,AID1798,AUPRC,0.0065094206083579865,1.0 +WELQRATE,LightGBM_Ranker,AID1798,AUROC,0.6624506255000233,1.0 +WELQRATE,LightGBM_Ranker,AID1798,BEDROC,0.20918587245133882,1.0 +WELQRATE,LightGBM_Ranker,AID1798,Enrichment factor 1%,17.30862437633642,1.0 +WELQRATE,LightGBM_Ranker,AID1798,Enrichment factor 5%,4.3413901601830664,1.0 +WELQRATE,LightGBM_Ranker,AID1798,RIE,4.105458756348791,1.0 +WELQRATE,LightGBM_Ranker,AID1798,AUPRC,0.09544752335682982,1.0 +WELQRATE,LightGBM_Ranker,AID1798,accuracy,0.5007412287926206,1.0 +WELQRATE,LightGBM_Ranker,AID1798,F1 score,0.005251066622907778,1.0 +WELQRATE,LightGBM_Ranker,AID1798,recall,0.6956521739130435,1.0 +WELQRATE,LightGBM_Ranker,AID1798,precision,0.0026354801515401085,1.0 +WELQRATE,LightGBM_Ranker,AID1798,MCC,0.017046891567800045,1.0 WELQRATE,RandomForest,AID1798,AUROC,0.6417249481432532,2.0 WELQRATE,RandomForest,AID1798,BEDROC,0.20661786044301886,2.0 WELQRATE,RandomForest,AID1798,Enrichment factor 1%,8.293715846994536,2.0 @@ -945,12 +1506,29 @@ WELQRATE,LogisticRegression,AID1798,F1 score,0.0,2.0 WELQRATE,LogisticRegression,AID1798,recall,0.0,2.0 WELQRATE,LogisticRegression,AID1798,precision,0.0,2.0 WELQRATE,LogisticRegression,AID1798,MCC,0.0,2.0 -WELQRATE,SimilaritySearch,AID1798,AUROC,0.561677405143455,2.0 -WELQRATE,SimilaritySearch,AID1798,BEDROC,0.10681786257916373,2.0 -WELQRATE,SimilaritySearch,AID1798,Enrichment factor 1%,2.7645719489981784,2.0 -WELQRATE,SimilaritySearch,AID1798,Enrichment factor 5%,2.2189327485380117,2.0 -WELQRATE,SimilaritySearch,AID1798,RIE,2.074249779192683,2.0 -WELQRATE,SimilaritySearch,AID1798,AUPRC,0.004742558003987806,2.0 +WELQRATE,SimilaritySearch_Mean,AID1798,AUROC,0.561677405143455,2.0 +WELQRATE,SimilaritySearch_Mean,AID1798,BEDROC,0.10681786257916373,2.0 +WELQRATE,SimilaritySearch_Mean,AID1798,Enrichment factor 1%,2.7645719489981784,2.0 +WELQRATE,SimilaritySearch_Mean,AID1798,Enrichment factor 5%,2.2189327485380117,2.0 +WELQRATE,SimilaritySearch_Mean,AID1798,RIE,2.074249779192683,2.0 +WELQRATE,SimilaritySearch_Mean,AID1798,AUPRC,0.004742558003987806,2.0 +WELQRATE,SimilaritySearch_Max,AID1798,AUROC,0.5948473667786405,2.0 +WELQRATE,SimilaritySearch_Max,AID1798,BEDROC,0.18106648743758513,2.0 +WELQRATE,SimilaritySearch_Max,AID1798,Enrichment factor 1%,16.58743169398907,2.0 +WELQRATE,SimilaritySearch_Max,AID1798,Enrichment factor 5%,3.8831323099415207,2.0 +WELQRATE,SimilaritySearch_Max,AID1798,RIE,3.5160516168813616,2.0 +WELQRATE,SimilaritySearch_Max,AID1798,AUPRC,0.014322182458703554,2.0 +WELQRATE,LightGBM_Ranker,AID1798,AUROC,0.6252902601097711,2.0 +WELQRATE,LightGBM_Ranker,AID1798,BEDROC,0.2812517121680109,2.0 +WELQRATE,LightGBM_Ranker,AID1798,Enrichment factor 1%,22.116575591985427,2.0 +WELQRATE,LightGBM_Ranker,AID1798,Enrichment factor 5%,5.547331871345029,2.0 +WELQRATE,LightGBM_Ranker,AID1798,RIE,5.46150503640281,2.0 +WELQRATE,LightGBM_Ranker,AID1798,AUPRC,0.05100497174256683,2.0 +WELQRATE,LightGBM_Ranker,AID1798,accuracy,0.5008235875473562,2.0 +WELQRATE,LightGBM_Ranker,AID1798,F1 score,0.007207207207207207,2.0 +WELQRATE,LightGBM_Ranker,AID1798,recall,0.6111111111111112,2.0 +WELQRATE,LightGBM_Ranker,AID1798,precision,0.003624979403526116,2.0 +WELQRATE,LightGBM_Ranker,AID1798,MCC,0.01213617336709744,2.0 WELQRATE,RandomForest,AID1798,AUROC,0.6753687261050396,3.0 WELQRATE,RandomForest,AID1798,BEDROC,0.15931414554100506,3.0 WELQRATE,RandomForest,AID1798,Enrichment factor 1%,3.4318824194460147,3.0 @@ -973,12 +1551,29 @@ WELQRATE,LogisticRegression,AID1798,F1 score,0.0,3.0 WELQRATE,LogisticRegression,AID1798,recall,0.0,3.0 WELQRATE,LogisticRegression,AID1798,precision,0.0,3.0 WELQRATE,LogisticRegression,AID1798,MCC,0.0,3.0 -WELQRATE,SimilaritySearch,AID1798,AUROC,0.5444962237778164,3.0 -WELQRATE,SimilaritySearch,AID1798,BEDROC,0.03701060308887447,3.0 -WELQRATE,SimilaritySearch,AID1798,Enrichment factor 1%,0.0,3.0 -WELQRATE,SimilaritySearch,AID1798,Enrichment factor 5%,0.6886343012704175,3.0 -WELQRATE,SimilaritySearch,AID1798,RIE,0.7228110217593168,3.0 -WELQRATE,SimilaritySearch,AID1798,AUPRC,0.0026924961901235943,3.0 +WELQRATE,SimilaritySearch_Mean,AID1798,AUROC,0.5444962237778164,3.0 +WELQRATE,SimilaritySearch_Mean,AID1798,BEDROC,0.03701060308887447,3.0 +WELQRATE,SimilaritySearch_Mean,AID1798,Enrichment factor 1%,0.0,3.0 +WELQRATE,SimilaritySearch_Mean,AID1798,Enrichment factor 5%,0.6886343012704175,3.0 +WELQRATE,SimilaritySearch_Mean,AID1798,RIE,0.7228110217593168,3.0 +WELQRATE,SimilaritySearch_Mean,AID1798,AUPRC,0.0026924961901235943,3.0 +WELQRATE,SimilaritySearch_Max,AID1798,AUROC,0.5386845708657271,3.0 +WELQRATE,SimilaritySearch_Max,AID1798,BEDROC,0.06018684074966085,3.0 +WELQRATE,SimilaritySearch_Max,AID1798,Enrichment factor 1%,0.0,3.0 +WELQRATE,SimilaritySearch_Max,AID1798,Enrichment factor 5%,1.377268602540835,3.0 +WELQRATE,SimilaritySearch_Max,AID1798,RIE,1.1754391241796023,3.0 +WELQRATE,SimilaritySearch_Max,AID1798,AUPRC,0.002961008591649539,3.0 +WELQRATE,LightGBM_Ranker,AID1798,AUROC,0.6279730810727716,3.0 +WELQRATE,LightGBM_Ranker,AID1798,BEDROC,0.07438818321973784,3.0 +WELQRATE,LightGBM_Ranker,AID1798,Enrichment factor 1%,3.4318824194460147,3.0 +WELQRATE,LightGBM_Ranker,AID1798,Enrichment factor 5%,1.377268602540835,3.0 +WELQRATE,LightGBM_Ranker,AID1798,RIE,1.4527890024528756,3.0 +WELQRATE,LightGBM_Ranker,AID1798,AUPRC,0.0054701326896980755,3.0 +WELQRATE,LightGBM_Ranker,AID1798,accuracy,0.500905946302092,3.0 +WELQRATE,LightGBM_Ranker,AID1798,F1 score,0.006231551328304362,3.0 +WELQRATE,LightGBM_Ranker,AID1798,recall,0.6551724137931034,3.0 +WELQRATE,LightGBM_Ranker,AID1798,precision,0.0031306640303180094,3.0 +WELQRATE,LightGBM_Ranker,AID1798,MCC,0.015201219849867862,3.0 WELQRATE,RandomForest,AID1798,AUROC,0.5761137222192173,4.0 WELQRATE,RandomForest,AID1798,BEDROC,0.14851690195860962,4.0 WELQRATE,RandomForest,AID1798,Enrichment factor 1%,6.863764838892029,4.0 @@ -1001,12 +1596,29 @@ WELQRATE,LogisticRegression,AID1798,F1 score,0.0,4.0 WELQRATE,LogisticRegression,AID1798,recall,0.0,4.0 WELQRATE,LogisticRegression,AID1798,precision,0.0,4.0 WELQRATE,LogisticRegression,AID1798,MCC,0.0,4.0 -WELQRATE,SimilaritySearch,AID1798,AUROC,0.5637232155820051,4.0 -WELQRATE,SimilaritySearch,AID1798,BEDROC,0.07629304925297498,4.0 -WELQRATE,SimilaritySearch,AID1798,Enrichment factor 1%,0.0,4.0 -WELQRATE,SimilaritySearch,AID1798,Enrichment factor 5%,0.6886343012704175,4.0 -WELQRATE,SimilaritySearch,AID1798,RIE,1.4899907221887667,4.0 -WELQRATE,SimilaritySearch,AID1798,AUPRC,0.0033974662229445804,4.0 +WELQRATE,SimilaritySearch_Mean,AID1798,AUROC,0.5637232155820051,4.0 +WELQRATE,SimilaritySearch_Mean,AID1798,BEDROC,0.07629304925297498,4.0 +WELQRATE,SimilaritySearch_Mean,AID1798,Enrichment factor 1%,0.0,4.0 +WELQRATE,SimilaritySearch_Mean,AID1798,Enrichment factor 5%,0.6886343012704175,4.0 +WELQRATE,SimilaritySearch_Mean,AID1798,RIE,1.4899907221887667,4.0 +WELQRATE,SimilaritySearch_Mean,AID1798,AUPRC,0.0033974662229445804,4.0 +WELQRATE,SimilaritySearch_Max,AID1798,AUROC,0.5071538984903651,4.0 +WELQRATE,SimilaritySearch_Max,AID1798,BEDROC,0.09698619611233908,4.0 +WELQRATE,SimilaritySearch_Max,AID1798,Enrichment factor 1%,6.863764838892029,4.0 +WELQRATE,SimilaritySearch_Max,AID1798,Enrichment factor 5%,1.377268602540835,4.0 +WELQRATE,SimilaritySearch_Max,AID1798,RIE,1.8941244704332376,4.0 +WELQRATE,SimilaritySearch_Max,AID1798,AUPRC,0.0055551544254134316,4.0 +WELQRATE,LightGBM_Ranker,AID1798,AUROC,0.6500098213091093,4.0 +WELQRATE,LightGBM_Ranker,AID1798,BEDROC,0.10657462465850223,4.0 +WELQRATE,LightGBM_Ranker,AID1798,Enrichment factor 1%,3.4318824194460147,4.0 +WELQRATE,LightGBM_Ranker,AID1798,Enrichment factor 5%,2.0659029038112524,4.0 +WELQRATE,LightGBM_Ranker,AID1798,RIE,2.0813848999112063,4.0 +WELQRATE,LightGBM_Ranker,AID1798,AUPRC,0.005018434724785876,4.0 +WELQRATE,LightGBM_Ranker,AID1798,accuracy,0.5007412287926206,4.0 +WELQRATE,LightGBM_Ranker,AID1798,F1 score,0.006229508196721312,4.0 +WELQRATE,LightGBM_Ranker,AID1798,recall,0.6551724137931034,4.0 +WELQRATE,LightGBM_Ranker,AID1798,precision,0.003129632679953879,4.0 +WELQRATE,LightGBM_Ranker,AID1798,MCC,0.015185099846547371,4.0 WELQRATE,RandomForest,AID1798,AUROC,0.6038145952644094,5.0 WELQRATE,RandomForest,AID1798,BEDROC,0.14472788154685695,5.0 WELQRATE,RandomForest,AID1798,Enrichment factor 1%,5.3797075764288875,5.0 @@ -1029,12 +1641,29 @@ WELQRATE,LogisticRegression,AID1798,F1 score,0.0,5.0 WELQRATE,LogisticRegression,AID1798,recall,0.0,5.0 WELQRATE,LogisticRegression,AID1798,precision,0.0,5.0 WELQRATE,LogisticRegression,AID1798,MCC,0.0,5.0 -WELQRATE,SimilaritySearch,AID1798,AUROC,0.5486631613025665,5.0 -WELQRATE,SimilaritySearch,AID1798,BEDROC,0.03529759123239833,5.0 -WELQRATE,SimilaritySearch,AID1798,Enrichment factor 1%,0.0,5.0 -WELQRATE,SimilaritySearch,AID1798,Enrichment factor 5%,1.0794807965860598,5.0 -WELQRATE,SimilaritySearch,AID1798,RIE,0.6848700283698345,5.0 -WELQRATE,SimilaritySearch,AID1798,AUPRC,0.0034637790858100363,5.0 +WELQRATE,SimilaritySearch_Mean,AID1798,AUROC,0.5486631613025665,5.0 +WELQRATE,SimilaritySearch_Mean,AID1798,BEDROC,0.03529759123239833,5.0 +WELQRATE,SimilaritySearch_Mean,AID1798,Enrichment factor 1%,0.0,5.0 +WELQRATE,SimilaritySearch_Mean,AID1798,Enrichment factor 5%,1.0794807965860598,5.0 +WELQRATE,SimilaritySearch_Mean,AID1798,RIE,0.6848700283698345,5.0 +WELQRATE,SimilaritySearch_Mean,AID1798,AUPRC,0.0034637790858100363,5.0 +WELQRATE,SimilaritySearch_Max,AID1798,AUROC,0.5834912979894393,5.0 +WELQRATE,SimilaritySearch_Max,AID1798,BEDROC,0.08282882334205383,5.0 +WELQRATE,SimilaritySearch_Max,AID1798,Enrichment factor 1%,2.6898537882144438,5.0 +WELQRATE,SimilaritySearch_Max,AID1798,Enrichment factor 5%,1.6192211948790896,5.0 +WELQRATE,SimilaritySearch_Max,AID1798,RIE,1.6071061676220544,5.0 +WELQRATE,SimilaritySearch_Max,AID1798,AUPRC,0.0056853217871523755,5.0 +WELQRATE,LightGBM_Ranker,AID1798,AUROC,0.4940855353494759,5.0 +WELQRATE,LightGBM_Ranker,AID1798,BEDROC,0.09673583793179681,5.0 +WELQRATE,LightGBM_Ranker,AID1798,Enrichment factor 1%,2.6898537882144438,5.0 +WELQRATE,LightGBM_Ranker,AID1798,Enrichment factor 5%,2.1589615931721196,5.0 +WELQRATE,LightGBM_Ranker,AID1798,RIE,1.8769403561021691,5.0 +WELQRATE,LightGBM_Ranker,AID1798,AUPRC,0.0042388432894029954,5.0 +WELQRATE,LightGBM_Ranker,AID1798,accuracy,0.4999176412452644,5.0 +WELQRATE,LightGBM_Ranker,AID1798,F1 score,0.005893909626719057,5.0 +WELQRATE,LightGBM_Ranker,AID1798,recall,0.4864864864864865,5.0 +WELQRATE,LightGBM_Ranker,AID1798,precision,0.002964915170482622,5.0 +WELQRATE,LightGBM_Ranker,AID1798,MCC,-0.0014942275554154488,5.0 WELQRATE,RandomForest,AID1843,AUROC,0.6235963283649425,1.0 WELQRATE,RandomForest,AID1843,BEDROC,0.36303345922510066,1.0 WELQRATE,RandomForest,AID1843,Enrichment factor 1%,15.987798960138647,1.0 @@ -1057,12 +1686,29 @@ WELQRATE,LogisticRegression,AID1843,F1 score,0.0,1.0 WELQRATE,LogisticRegression,AID1843,recall,0.0,1.0 WELQRATE,LogisticRegression,AID1843,precision,0.0,1.0 WELQRATE,LogisticRegression,AID1843,MCC,0.0,1.0 -WELQRATE,SimilaritySearch,AID1843,AUROC,0.6510621019937186,1.0 -WELQRATE,SimilaritySearch,AID1843,BEDROC,0.130357144377188,1.0 -WELQRATE,SimilaritySearch,AID1843,Enrichment factor 1%,7.993899480069324,1.0 -WELQRATE,SimilaritySearch,AID1843,Enrichment factor 5%,3.1997780090183836,1.0 -WELQRATE,SimilaritySearch,AID1843,RIE,2.5958708032338826,1.0 -WELQRATE,SimilaritySearch,AID1843,AUPRC,0.002246910435117066,1.0 +WELQRATE,SimilaritySearch_Mean,AID1843,AUROC,0.6510621019937186,1.0 +WELQRATE,SimilaritySearch_Mean,AID1843,BEDROC,0.130357144377188,1.0 +WELQRATE,SimilaritySearch_Mean,AID1843,Enrichment factor 1%,7.993899480069324,1.0 +WELQRATE,SimilaritySearch_Mean,AID1843,Enrichment factor 5%,3.1997780090183836,1.0 +WELQRATE,SimilaritySearch_Mean,AID1843,RIE,2.5958708032338826,1.0 +WELQRATE,SimilaritySearch_Mean,AID1843,AUPRC,0.002246910435117066,1.0 +WELQRATE,SimilaritySearch_Max,AID1843,AUROC,0.6202883864586768,1.0 +WELQRATE,SimilaritySearch_Max,AID1843,BEDROC,0.12620670873786716,1.0 +WELQRATE,SimilaritySearch_Max,AID1843,Enrichment factor 1%,3.996949740034662,1.0 +WELQRATE,SimilaritySearch_Max,AID1843,Enrichment factor 5%,2.3998335067637875,1.0 +WELQRATE,SimilaritySearch_Max,AID1843,RIE,2.5132209831841115,1.0 +WELQRATE,SimilaritySearch_Max,AID1843,AUPRC,0.0010040865026660134,1.0 +WELQRATE,LightGBM_Ranker,AID1843,AUROC,0.7669157224410474,1.0 +WELQRATE,LightGBM_Ranker,AID1843,BEDROC,0.27542117492399504,1.0 +WELQRATE,LightGBM_Ranker,AID1843,Enrichment factor 1%,15.987798960138647,1.0 +WELQRATE,LightGBM_Ranker,AID1843,Enrichment factor 5%,5.599611515782171,1.0 +WELQRATE,LightGBM_Ranker,AID1843,RIE,5.484607567828063,1.0 +WELQRATE,LightGBM_Ranker,AID1843,AUPRC,0.006471986721602653,1.0 +WELQRATE,LightGBM_Ranker,AID1843,accuracy,0.5003642292215901,1.0 +WELQRATE,LightGBM_Ranker,AID1843,F1 score,0.0014558563555062568,1.0 +WELQRATE,LightGBM_Ranker,AID1843,recall,0.84,1.0 +WELQRATE,LightGBM_Ranker,AID1843,precision,0.0007285595337218984,1.0 +WELQRATE,LightGBM_Ranker,AID1843,MCC,0.01416574606101605,1.0 WELQRATE,RandomForest,AID1843,AUROC,0.6250890770414946,2.0 WELQRATE,RandomForest,AID1843,BEDROC,0.36821629631909303,2.0 WELQRATE,RandomForest,AID1843,Enrichment factor 1%,16.11673282272041,2.0 @@ -1085,12 +1731,29 @@ WELQRATE,LogisticRegression,AID1843,F1 score,0.0,2.0 WELQRATE,LogisticRegression,AID1843,recall,0.0,2.0 WELQRATE,LogisticRegression,AID1843,precision,0.0,2.0 WELQRATE,LogisticRegression,AID1843,MCC,0.0,2.0 -WELQRATE,SimilaritySearch,AID1843,AUROC,0.6638782450493317,2.0 -WELQRATE,SimilaritySearch,AID1843,BEDROC,0.2708300582830576,2.0 -WELQRATE,SimilaritySearch,AID1843,Enrichment factor 1%,16.11673282272041,2.0 -WELQRATE,SimilaritySearch,AID1843,Enrichment factor 5%,5.806048806686584,2.0 -WELQRATE,SimilaritySearch,AID1843,RIE,5.387581787599252,2.0 -WELQRATE,SimilaritySearch,AID1843,AUPRC,0.010691214894484453,2.0 +WELQRATE,SimilaritySearch_Mean,AID1843,AUROC,0.6638782450493317,2.0 +WELQRATE,SimilaritySearch_Mean,AID1843,BEDROC,0.2708300582830576,2.0 +WELQRATE,SimilaritySearch_Mean,AID1843,Enrichment factor 1%,16.11673282272041,2.0 +WELQRATE,SimilaritySearch_Mean,AID1843,Enrichment factor 5%,5.806048806686584,2.0 +WELQRATE,SimilaritySearch_Mean,AID1843,RIE,5.387581787599252,2.0 +WELQRATE,SimilaritySearch_Mean,AID1843,AUPRC,0.010691214894484453,2.0 +WELQRATE,SimilaritySearch_Max,AID1843,AUROC,0.7155426492197887,2.0 +WELQRATE,SimilaritySearch_Max,AID1843,BEDROC,0.30289562810549525,2.0 +WELQRATE,SimilaritySearch_Max,AID1843,Enrichment factor 1%,12.89338625817633,2.0 +WELQRATE,SimilaritySearch_Max,AID1843,Enrichment factor 5%,8.386514942991731,2.0 +WELQRATE,SimilaritySearch_Max,AID1843,RIE,6.0254573607560085,2.0 +WELQRATE,SimilaritySearch_Max,AID1843,AUPRC,0.0037712970509126043,2.0 +WELQRATE,LightGBM_Ranker,AID1843,AUROC,0.7227446644741446,2.0 +WELQRATE,LightGBM_Ranker,AID1843,BEDROC,0.25416689427733324,2.0 +WELQRATE,LightGBM_Ranker,AID1843,Enrichment factor 1%,16.11673282272041,2.0 +WELQRATE,LightGBM_Ranker,AID1843,Enrichment factor 5%,5.806048806686584,2.0 +WELQRATE,LightGBM_Ranker,AID1843,RIE,5.056103964201307,2.0 +WELQRATE,LightGBM_Ranker,AID1843,AUPRC,0.007788317438704615,2.0 +WELQRATE,LightGBM_Ranker,AID1843,accuracy,0.500346884972943,2.0 +WELQRATE,LightGBM_Ranker,AID1843,F1 score,0.0017326218033127728,2.0 +WELQRATE,LightGBM_Ranker,AID1843,recall,0.8064516129032258,2.0 +WELQRATE,LightGBM_Ranker,AID1843,precision,0.0008672425156970896,2.0 +WELQRATE,LightGBM_Ranker,AID1843,MCC,0.014216472987354829,2.0 WELQRATE,RandomForest,AID1843,AUROC,0.7595855509275329,3.0 WELQRATE,RandomForest,AID1843,BEDROC,0.5098862259810285,3.0 WELQRATE,RandomForest,AID1843,Enrichment factor 1%,30.53225495859811,3.0 @@ -1113,18 +1776,35 @@ WELQRATE,LogisticRegression,AID1843,F1 score,0.0,3.0 WELQRATE,LogisticRegression,AID1843,recall,0.0,3.0 WELQRATE,LogisticRegression,AID1843,precision,0.0,3.0 WELQRATE,LogisticRegression,AID1843,MCC,0.0,3.0 -WELQRATE,SimilaritySearch,AID1843,AUROC,0.6776249566122874,3.0 -WELQRATE,SimilaritySearch,AID1843,BEDROC,0.3030556464898438,3.0 -WELQRATE,SimilaritySearch,AID1843,Enrichment factor 1%,22.2052763335259,3.0 -WELQRATE,SimilaritySearch,AID1843,Enrichment factor 5%,6.110687170000386,3.0 -WELQRATE,SimilaritySearch,AID1843,RIE,6.023424853641177,3.0 -WELQRATE,SimilaritySearch,AID1843,AUPRC,0.032818821370145565,3.0 +WELQRATE,SimilaritySearch_Mean,AID1843,AUROC,0.6776249566122874,3.0 +WELQRATE,SimilaritySearch_Mean,AID1843,BEDROC,0.3030556464898438,3.0 +WELQRATE,SimilaritySearch_Mean,AID1843,Enrichment factor 1%,22.2052763335259,3.0 +WELQRATE,SimilaritySearch_Mean,AID1843,Enrichment factor 5%,6.110687170000386,3.0 +WELQRATE,SimilaritySearch_Mean,AID1843,RIE,6.023424853641177,3.0 +WELQRATE,SimilaritySearch_Mean,AID1843,AUPRC,0.032818821370145565,3.0 +WELQRATE,SimilaritySearch_Max,AID1843,AUROC,0.7725228026533997,3.0 +WELQRATE,SimilaritySearch_Max,AID1843,BEDROC,0.40938118368543,3.0 +WELQRATE,SimilaritySearch_Max,AID1843,Enrichment factor 1%,33.30791450028885,3.0 +WELQRATE,SimilaritySearch_Max,AID1843,Enrichment factor 5%,9.443789262727869,3.0 +WELQRATE,SimilaritySearch_Max,AID1843,RIE,8.136712912544112,3.0 +WELQRATE,SimilaritySearch_Max,AID1843,AUPRC,0.01152830650495516,3.0 +WELQRATE,LightGBM_Ranker,AID1843,AUROC,0.9069892784141309,3.0 +WELQRATE,LightGBM_Ranker,AID1843,BEDROC,0.47769122850884993,3.0 +WELQRATE,LightGBM_Ranker,AID1843,Enrichment factor 1%,33.30791450028885,3.0 +WELQRATE,LightGBM_Ranker,AID1843,Enrichment factor 5%,11.11034030909161,3.0 +WELQRATE,LightGBM_Ranker,AID1843,RIE,9.494418745366843,3.0 +WELQRATE,LightGBM_Ranker,AID1843,AUPRC,0.03034400421165537,3.0 +WELQRATE,LightGBM_Ranker,AID1843,accuracy,0.500693769945886,3.0 +WELQRATE,LightGBM_Ranker,AID1843,F1 score,0.002494802494802495,3.0 +WELQRATE,LightGBM_Ranker,AID1843,recall,1.0,3.0 +WELQRATE,LightGBM_Ranker,AID1843,precision,0.0012489592006661116,3.0 +WELQRATE,LightGBM_Ranker,AID1843,MCC,0.024999129340481294,3.0 WELQRATE,RandomForest,AID1843,AUROC,0.5919434271730074,4.0 WELQRATE,RandomForest,AID1843,BEDROC,0.36468038719140206,4.0 WELQRATE,RandomForest,AID1843,Enrichment factor 1%,14.988561525129985,4.0 WELQRATE,RandomForest,AID1843,Enrichment factor 5%,4.999653139091224,4.0 WELQRATE,RandomForest,AID1843,RIE,7.243240152744472,4.0 -WELQRATE,RandomForest,AID1843,AUPRC,0.034458459485597316,4.0 +WELQRATE,RandomForest,AID1843,AUPRC,0.03445845948559732,4.0 WELQRATE,RandomForest,AID1843,accuracy,0.999306230054114,4.0 WELQRATE,RandomForest,AID1843,F1 score,0.047619047619047616,4.0 WELQRATE,RandomForest,AID1843,recall,0.025,4.0 @@ -1141,12 +1821,29 @@ WELQRATE,LogisticRegression,AID1843,F1 score,0.0,4.0 WELQRATE,LogisticRegression,AID1843,recall,0.0,4.0 WELQRATE,LogisticRegression,AID1843,precision,0.0,4.0 WELQRATE,LogisticRegression,AID1843,MCC,0.0,4.0 -WELQRATE,SimilaritySearch,AID1843,AUROC,0.600555401277423,4.0 -WELQRATE,SimilaritySearch,AID1843,BEDROC,0.16110923283695264,4.0 -WELQRATE,SimilaritySearch,AID1843,Enrichment factor 1%,7.494280762564992,4.0 -WELQRATE,SimilaritySearch,AID1843,Enrichment factor 5%,2.9997918834547344,4.0 -WELQRATE,SimilaritySearch,AID1843,RIE,3.1999331845074477,4.0 -WELQRATE,SimilaritySearch,AID1843,AUPRC,0.0036359557902134916,4.0 +WELQRATE,SimilaritySearch_Mean,AID1843,AUROC,0.600555401277423,4.0 +WELQRATE,SimilaritySearch_Mean,AID1843,BEDROC,0.16110923283695264,4.0 +WELQRATE,SimilaritySearch_Mean,AID1843,Enrichment factor 1%,7.494280762564992,4.0 +WELQRATE,SimilaritySearch_Mean,AID1843,Enrichment factor 5%,2.9997918834547344,4.0 +WELQRATE,SimilaritySearch_Mean,AID1843,RIE,3.1999331845074477,4.0 +WELQRATE,SimilaritySearch_Mean,AID1843,AUPRC,0.0036359557902134916,4.0 +WELQRATE,SimilaritySearch_Max,AID1843,AUROC,0.7033961920299917,4.0 +WELQRATE,SimilaritySearch_Max,AID1843,BEDROC,0.3021124679123937,4.0 +WELQRATE,SimilaritySearch_Max,AID1843,Enrichment factor 1%,19.98474870017331,4.0 +WELQRATE,SimilaritySearch_Max,AID1843,Enrichment factor 5%,7.499479708636836,4.0 +WELQRATE,SimilaritySearch_Max,AID1843,RIE,6.00052330117902,4.0 +WELQRATE,SimilaritySearch_Max,AID1843,AUPRC,0.012775344981258407,4.0 +WELQRATE,LightGBM_Ranker,AID1843,AUROC,0.8189754148153291,4.0 +WELQRATE,LightGBM_Ranker,AID1843,BEDROC,0.2664970951029136,4.0 +WELQRATE,LightGBM_Ranker,AID1843,Enrichment factor 1%,14.988561525129985,4.0 +WELQRATE,LightGBM_Ranker,AID1843,Enrichment factor 5%,6.499549080818592,4.0 +WELQRATE,LightGBM_Ranker,AID1843,RIE,5.29313484276218,4.0 +WELQRATE,LightGBM_Ranker,AID1843,AUPRC,0.010158249136869427,4.0 +WELQRATE,LightGBM_Ranker,AID1843,accuracy,0.500693769945886,4.0 +WELQRATE,LightGBM_Ranker,AID1843,F1 score,0.0027021409270421948,4.0 +WELQRATE,LightGBM_Ranker,AID1843,recall,0.975,4.0 +WELQRATE,LightGBM_Ranker,AID1843,precision,0.001352945257753417,4.0 +WELQRATE,LightGBM_Ranker,AID1843,MCC,0.02503304987651541,4.0 WELQRATE,RandomForest,AID1843,AUROC,0.6808395748573809,5.0 WELQRATE,RandomForest,AID1843,BEDROC,0.44411645701954583,5.0 WELQRATE,RandomForest,AID1843,Enrichment factor 1%,25.694676900222827,5.0 @@ -1169,12 +1866,29 @@ WELQRATE,LogisticRegression,AID1843,F1 score,0.0,5.0 WELQRATE,LogisticRegression,AID1843,recall,0.0,5.0 WELQRATE,LogisticRegression,AID1843,precision,0.0,5.0 WELQRATE,LogisticRegression,AID1843,MCC,0.0,5.0 -WELQRATE,SimilaritySearch,AID1843,AUROC,0.5904997433971246,5.0 -WELQRATE,SimilaritySearch,AID1843,BEDROC,0.1772658052651389,5.0 -WELQRATE,SimilaritySearch,AID1843,Enrichment factor 1%,17.129784600148554,5.0 -WELQRATE,SimilaritySearch,AID1843,Enrichment factor 5%,3.4283335810911253,5.0 -WELQRATE,SimilaritySearch,AID1843,RIE,3.5238811860616477,5.0 -WELQRATE,SimilaritySearch,AID1843,AUPRC,0.013749057277365025,5.0 +WELQRATE,SimilaritySearch_Mean,AID1843,AUROC,0.5904997433971246,5.0 +WELQRATE,SimilaritySearch_Mean,AID1843,BEDROC,0.1772658052651389,5.0 +WELQRATE,SimilaritySearch_Mean,AID1843,Enrichment factor 1%,17.129784600148554,5.0 +WELQRATE,SimilaritySearch_Mean,AID1843,Enrichment factor 5%,3.4283335810911253,5.0 +WELQRATE,SimilaritySearch_Mean,AID1843,RIE,3.5238811860616477,5.0 +WELQRATE,SimilaritySearch_Mean,AID1843,AUPRC,0.013749057277365025,5.0 +WELQRATE,SimilaritySearch_Max,AID1843,AUROC,0.6160006148551991,5.0 +WELQRATE,SimilaritySearch_Max,AID1843,BEDROC,0.21811337965329464,5.0 +WELQRATE,SimilaritySearch_Max,AID1843,Enrichment factor 1%,17.129784600148554,5.0 +WELQRATE,SimilaritySearch_Max,AID1843,Enrichment factor 5%,4.571111441454834,5.0 +WELQRATE,SimilaritySearch_Max,AID1843,RIE,4.335893389843723,5.0 +WELQRATE,SimilaritySearch_Max,AID1843,AUPRC,0.023857089991121797,5.0 +WELQRATE,LightGBM_Ranker,AID1843,AUROC,0.7849127426260764,5.0 +WELQRATE,LightGBM_Ranker,AID1843,BEDROC,0.3399488329504238,5.0 +WELQRATE,LightGBM_Ranker,AID1843,Enrichment factor 1%,22.83971280019807,5.0 +WELQRATE,LightGBM_Ranker,AID1843,Enrichment factor 5%,6.856667162182251,5.0 +WELQRATE,LightGBM_Ranker,AID1843,RIE,6.757870126833926,5.0 +WELQRATE,LightGBM_Ranker,AID1843,AUPRC,0.010492102286466418,5.0 +WELQRATE,LightGBM_Ranker,AID1843,accuracy,0.5003295407242958,5.0 +WELQRATE,LightGBM_Ranker,AID1843,F1 score,0.0018709073900841909,5.0 +WELQRATE,LightGBM_Ranker,AID1843,recall,0.7714285714285715,5.0 +WELQRATE,LightGBM_Ranker,AID1843,precision,0.0009365894269460247,5.0 +WELQRATE,LightGBM_Ranker,AID1843,MCC,0.013379170344196936,5.0 WELQRATE,RandomForest,AID2258,AUROC,0.7081199688392625,1.0 WELQRATE,RandomForest,AID2258,BEDROC,0.3866787502113183,1.0 WELQRATE,RandomForest,AID2258,Enrichment factor 1%,19.9706390328152,1.0 @@ -1197,12 +1911,29 @@ WELQRATE,LogisticRegression,AID2258,F1 score,0.0,1.0 WELQRATE,LogisticRegression,AID2258,recall,0.0,1.0 WELQRATE,LogisticRegression,AID2258,precision,0.0,1.0 WELQRATE,LogisticRegression,AID2258,MCC,0.0,1.0 -WELQRATE,SimilaritySearch,AID2258,AUROC,0.5100327187743443,1.0 -WELQRATE,SimilaritySearch,AID2258,BEDROC,0.03591778299378547,1.0 -WELQRATE,SimilaritySearch,AID2258,Enrichment factor 1%,1.99706390328152,1.0 -WELQRATE,SimilaritySearch,AID2258,Enrichment factor 5%,0.39996540989277063,1.0 -WELQRATE,SimilaritySearch,AID2258,RIE,0.7121788285097383,1.0 -WELQRATE,SimilaritySearch,AID2258,AUPRC,0.0008959460679189646,1.0 +WELQRATE,SimilaritySearch_Mean,AID2258,AUROC,0.5100327187743443,1.0 +WELQRATE,SimilaritySearch_Mean,AID2258,BEDROC,0.03591778299378547,1.0 +WELQRATE,SimilaritySearch_Mean,AID2258,Enrichment factor 1%,1.99706390328152,1.0 +WELQRATE,SimilaritySearch_Mean,AID2258,Enrichment factor 5%,0.39996540989277063,1.0 +WELQRATE,SimilaritySearch_Mean,AID2258,RIE,0.7121788285097383,1.0 +WELQRATE,SimilaritySearch_Mean,AID2258,AUPRC,0.0008959460679189646,1.0 +WELQRATE,SimilaritySearch_Max,AID2258,AUROC,0.6845693759196746,1.0 +WELQRATE,SimilaritySearch_Max,AID2258,BEDROC,0.21982789231594713,1.0 +WELQRATE,SimilaritySearch_Max,AID2258,Enrichment factor 1%,17.97357512953368,1.0 +WELQRATE,SimilaritySearch_Max,AID2258,Enrichment factor 5%,4.399619508820478,1.0 +WELQRATE,SimilaritySearch_Max,AID2258,RIE,4.3587535233769525,1.0 +WELQRATE,SimilaritySearch_Max,AID2258,AUPRC,0.014048406042728728,1.0 +WELQRATE,LightGBM_Ranker,AID2258,AUROC,0.6050461352029776,1.0 +WELQRATE,LightGBM_Ranker,AID2258,BEDROC,0.17565173599206815,1.0 +WELQRATE,LightGBM_Ranker,AID2258,Enrichment factor 1%,7.98825561312608,1.0 +WELQRATE,LightGBM_Ranker,AID2258,Enrichment factor 5%,3.9996540989277065,1.0 +WELQRATE,LightGBM_Ranker,AID2258,RIE,3.4828274834170414,1.0 +WELQRATE,LightGBM_Ranker,AID2258,AUPRC,0.0035906728796498695,1.0 +WELQRATE,LightGBM_Ranker,AID2258,accuracy,0.5002335034160685,1.0 +WELQRATE,LightGBM_Ranker,AID2258,F1 score,0.0020722525385093596,1.0 +WELQRATE,LightGBM_Ranker,AID2258,recall,0.6,1.0 +WELQRATE,LightGBM_Ranker,AID2258,precision,0.001037918627179629,1.0 +WELQRATE,LightGBM_Ranker,AID2258,MCC,0.005887696915731654,1.0 WELQRATE,RandomForest,AID2258,AUROC,0.7082177779881816,2.0 WELQRATE,RandomForest,AID2258,BEDROC,0.3192320421253423,2.0 WELQRATE,RandomForest,AID2258,Enrichment factor 1%,16.30256247576751,2.0 @@ -1225,12 +1956,29 @@ WELQRATE,LogisticRegression,AID2258,F1 score,0.0,2.0 WELQRATE,LogisticRegression,AID2258,recall,0.0,2.0 WELQRATE,LogisticRegression,AID2258,precision,0.0,2.0 WELQRATE,LogisticRegression,AID2258,MCC,0.0,2.0 -WELQRATE,SimilaritySearch,AID2258,AUROC,0.5043230358653172,2.0 -WELQRATE,SimilaritySearch,AID2258,BEDROC,0.08273358214596398,2.0 -WELQRATE,SimilaritySearch,AID2258,Enrichment factor 1%,2.0378203094709386,2.0 -WELQRATE,SimilaritySearch,AID2258,Enrichment factor 5%,1.6325118771133496,2.0 -WELQRATE,SimilaritySearch,AID2258,RIE,1.6407267336952764,2.0 -WELQRATE,SimilaritySearch,AID2258,AUPRC,0.001262826392406509,2.0 +WELQRATE,SimilaritySearch_Mean,AID2258,AUROC,0.5043230358653172,2.0 +WELQRATE,SimilaritySearch_Mean,AID2258,BEDROC,0.08273358214596398,2.0 +WELQRATE,SimilaritySearch_Mean,AID2258,Enrichment factor 1%,2.0378203094709386,2.0 +WELQRATE,SimilaritySearch_Mean,AID2258,Enrichment factor 5%,1.6325118771133496,2.0 +WELQRATE,SimilaritySearch_Mean,AID2258,RIE,1.6407267336952764,2.0 +WELQRATE,SimilaritySearch_Mean,AID2258,AUPRC,0.001262826392406509,2.0 +WELQRATE,SimilaritySearch_Max,AID2258,AUROC,0.6543929520012832,2.0 +WELQRATE,SimilaritySearch_Max,AID2258,BEDROC,0.20160099214643046,2.0 +WELQRATE,SimilaritySearch_Max,AID2258,Enrichment factor 1%,14.26474216629657,2.0 +WELQRATE,SimilaritySearch_Max,AID2258,Enrichment factor 5%,4.489407662061712,2.0 +WELQRATE,SimilaritySearch_Max,AID2258,RIE,3.998039536457215,2.0 +WELQRATE,SimilaritySearch_Max,AID2258,AUPRC,0.008167160292963792,2.0 +WELQRATE,LightGBM_Ranker,AID2258,AUROC,0.6074270791306517,2.0 +WELQRATE,LightGBM_Ranker,AID2258,BEDROC,0.1797489644340706,2.0 +WELQRATE,LightGBM_Ranker,AID2258,Enrichment factor 1%,14.26474216629657,2.0 +WELQRATE,LightGBM_Ranker,AID2258,Enrichment factor 5%,3.673151723505037,2.0 +WELQRATE,LightGBM_Ranker,AID2258,RIE,3.5646821957659993,2.0 +WELQRATE,LightGBM_Ranker,AID2258,AUPRC,0.032230683616436336,2.0 +WELQRATE,LightGBM_Ranker,AID2258,accuracy,0.500337282712099,2.0 +WELQRATE,LightGBM_Ranker,AID2258,F1 score,0.0022105554020447637,2.0 +WELQRATE,LightGBM_Ranker,AID2258,recall,0.6530612244897959,2.0 +WELQRATE,LightGBM_Ranker,AID2258,precision,0.0011071515067640038,2.0 +WELQRATE,LightGBM_Ranker,AID2258,MCC,0.00892026727136198,2.0 WELQRATE,RandomForest,AID2258,AUROC,0.6603461891362451,3.0 WELQRATE,RandomForest,AID2258,BEDROC,0.3201023722055388,3.0 WELQRATE,RandomForest,AID2258,Enrichment factor 1%,19.202537531553077,3.0 @@ -1253,18 +2001,35 @@ WELQRATE,LogisticRegression,AID2258,F1 score,0.0,3.0 WELQRATE,LogisticRegression,AID2258,recall,0.0,3.0 WELQRATE,LogisticRegression,AID2258,precision,0.0,3.0 WELQRATE,LogisticRegression,AID2258,MCC,0.0,3.0 -WELQRATE,SimilaritySearch,AID2258,AUROC,0.5959014887091683,3.0 -WELQRATE,SimilaritySearch,AID2258,BEDROC,0.09764890673742821,3.0 -WELQRATE,SimilaritySearch,AID2258,Enrichment factor 1%,3.8405075063106153,3.0 -WELQRATE,SimilaritySearch,AID2258,Enrichment factor 5%,2.6920748742782643,3.0 -WELQRATE,SimilaritySearch,AID2258,RIE,1.9355175423962525,3.0 -WELQRATE,SimilaritySearch,AID2258,AUPRC,0.0015040371326382985,3.0 -WELQRATE,RandomForest,AID2258,AUROC,0.6876725241720537,4.0 +WELQRATE,SimilaritySearch_Mean,AID2258,AUROC,0.5959014887091683,3.0 +WELQRATE,SimilaritySearch_Mean,AID2258,BEDROC,0.09764890673742821,3.0 +WELQRATE,SimilaritySearch_Mean,AID2258,Enrichment factor 1%,3.8405075063106153,3.0 +WELQRATE,SimilaritySearch_Mean,AID2258,Enrichment factor 5%,2.6920748742782643,3.0 +WELQRATE,SimilaritySearch_Mean,AID2258,RIE,1.9355175423962525,3.0 +WELQRATE,SimilaritySearch_Mean,AID2258,AUPRC,0.0015040371326382985,3.0 +WELQRATE,SimilaritySearch_Max,AID2258,AUROC,0.7003683153575817,3.0 +WELQRATE,SimilaritySearch_Max,AID2258,BEDROC,0.2688363030998646,3.0 +WELQRATE,SimilaritySearch_Max,AID2258,Enrichment factor 1%,17.28228377839777,3.0 +WELQRATE,SimilaritySearch_Max,AID2258,Enrichment factor 5%,5.768731873453423,3.0 +WELQRATE,SimilaritySearch_Max,AID2258,RIE,5.3286553935639525,3.0 +WELQRATE,SimilaritySearch_Max,AID2258,AUPRC,0.009913009619067716,3.0 +WELQRATE,LightGBM_Ranker,AID2258,AUROC,0.5804256184754947,3.0 +WELQRATE,LightGBM_Ranker,AID2258,BEDROC,0.1540437862681072,3.0 +WELQRATE,LightGBM_Ranker,AID2258,Enrichment factor 1%,3.8405075063106153,3.0 +WELQRATE,LightGBM_Ranker,AID2258,Enrichment factor 5%,3.461239124072054,3.0 +WELQRATE,LightGBM_Ranker,AID2258,RIE,3.0533311455802923,3.0 +WELQRATE,LightGBM_Ranker,AID2258,AUPRC,0.0036305619325579836,3.0 +WELQRATE,LightGBM_Ranker,AID2258,accuracy,0.5001470206693764,3.0 +WELQRATE,LightGBM_Ranker,AID2258,F1 score,0.0020718947477468145,3.0 +WELQRATE,LightGBM_Ranker,AID2258,recall,0.5769230769230769,3.0 +WELQRATE,LightGBM_Ranker,AID2258,precision,0.0010378109108520428,3.0 +WELQRATE,LightGBM_Ranker,AID2258,MCC,0.004616493928860752,3.0 +WELQRATE,RandomForest,AID2258,AUROC,0.6876721847245928,4.0 WELQRATE,RandomForest,AID2258,BEDROC,0.3437229275837421,4.0 WELQRATE,RandomForest,AID2258,Enrichment factor 1%,19.57905787530902,4.0 WELQRATE,RandomForest,AID2258,Enrichment factor 5%,6.273967214004245,4.0 WELQRATE,RandomForest,AID2258,RIE,6.81417239644295,4.0 -WELQRATE,RandomForest,AID2258,AUPRC,0.017471036111881166,4.0 +WELQRATE,RandomForest,AID2258,AUPRC,0.017470585565309043,4.0 WELQRATE,RandomForest,AID2258,accuracy,0.9991178759837412,4.0 WELQRATE,RandomForest,AID2258,F1 score,0.0,4.0 WELQRATE,RandomForest,AID2258,recall,0.0,4.0 @@ -1281,18 +2046,35 @@ WELQRATE,LogisticRegression,AID2258,F1 score,0.0,4.0 WELQRATE,LogisticRegression,AID2258,recall,0.0,4.0 WELQRATE,LogisticRegression,AID2258,precision,0.0,4.0 WELQRATE,LogisticRegression,AID2258,MCC,0.0,4.0 -WELQRATE,SimilaritySearch,AID2258,AUROC,0.5687143495304083,4.0 -WELQRATE,SimilaritySearch,AID2258,BEDROC,0.09378823747112097,4.0 -WELQRATE,SimilaritySearch,AID2258,Enrichment factor 1%,3.9158115750618037,4.0 -WELQRATE,SimilaritySearch,AID2258,Enrichment factor 5%,1.5684918035010613,4.0 -WELQRATE,SimilaritySearch,AID2258,RIE,1.8593150994431245,4.0 -WELQRATE,SimilaritySearch,AID2258,AUPRC,0.0015134620945606286,4.0 +WELQRATE,SimilaritySearch_Mean,AID2258,AUROC,0.5687143495304083,4.0 +WELQRATE,SimilaritySearch_Mean,AID2258,BEDROC,0.09378823747112097,4.0 +WELQRATE,SimilaritySearch_Mean,AID2258,Enrichment factor 1%,3.9158115750618037,4.0 +WELQRATE,SimilaritySearch_Mean,AID2258,Enrichment factor 5%,1.5684918035010613,4.0 +WELQRATE,SimilaritySearch_Mean,AID2258,RIE,1.8593150994431245,4.0 +WELQRATE,SimilaritySearch_Mean,AID2258,AUPRC,0.0015134620945606286,4.0 +WELQRATE,SimilaritySearch_Max,AID2258,AUROC,0.6809648726189457,4.0 +WELQRATE,SimilaritySearch_Max,AID2258,BEDROC,0.19511171842037164,4.0 +WELQRATE,SimilaritySearch_Max,AID2258,Enrichment factor 1%,11.747434725185412,4.0 +WELQRATE,SimilaritySearch_Max,AID2258,Enrichment factor 5%,3.9212295087526536,4.0 +WELQRATE,SimilaritySearch_Max,AID2258,RIE,3.868013406639278,4.0 +WELQRATE,SimilaritySearch_Max,AID2258,AUPRC,0.00956862270432837,4.0 +WELQRATE,LightGBM_Ranker,AID2258,AUROC,0.6680098602698472,4.0 +WELQRATE,LightGBM_Ranker,AID2258,BEDROC,0.17318349566964747,4.0 +WELQRATE,LightGBM_Ranker,AID2258,Enrichment factor 1%,3.9158115750618037,4.0 +WELQRATE,LightGBM_Ranker,AID2258,Enrichment factor 5%,5.0975983613784495,4.0 +WELQRATE,LightGBM_Ranker,AID2258,RIE,3.4332949829674595,4.0 +WELQRATE,LightGBM_Ranker,AID2258,AUPRC,0.004680428398977924,4.0 +WELQRATE,LightGBM_Ranker,AID2258,accuracy,0.500423765458791,4.0 +WELQRATE,LightGBM_Ranker,AID2258,F1 score,0.0025555133473771454,4.0 +WELQRATE,LightGBM_Ranker,AID2258,recall,0.7254901960784313,4.0 +WELQRATE,LightGBM_Ranker,AID2258,precision,0.001280011070366014,4.0 +WELQRATE,LightGBM_Ranker,AID2258,MCC,0.013401829417167903,4.0 WELQRATE,RandomForest,AID2258,AUROC,0.7301861429140294,5.0 WELQRATE,RandomForest,AID2258,BEDROC,0.4432225577511564,5.0 WELQRATE,RandomForest,AID2258,Enrichment factor 1%,26.746391561806067,5.0 WELQRATE,RandomForest,AID2258,Enrichment factor 5%,9.284911301082175,5.0 WELQRATE,RandomForest,AID2258,RIE,8.77914128941686,5.0 -WELQRATE,RandomForest,AID2258,AUPRC,0.04646184384648675,5.0 +WELQRATE,RandomForest,AID2258,AUPRC,0.04646184384648676,5.0 WELQRATE,RandomForest,AID2258,accuracy,0.9989968001383724,5.0 WELQRATE,RandomForest,AID2258,F1 score,0.03333333333333333,5.0 WELQRATE,RandomForest,AID2258,recall,0.017857142857142856,5.0 @@ -1309,12 +2091,29 @@ WELQRATE,LogisticRegression,AID2258,F1 score,0.0,5.0 WELQRATE,LogisticRegression,AID2258,recall,0.0,5.0 WELQRATE,LogisticRegression,AID2258,precision,0.0,5.0 WELQRATE,LogisticRegression,AID2258,MCC,0.0,5.0 -WELQRATE,SimilaritySearch,AID2258,AUROC,0.481247202043961,5.0 -WELQRATE,SimilaritySearch,AID2258,BEDROC,0.06023608376457244,5.0 -WELQRATE,SimilaritySearch,AID2258,Enrichment factor 1%,1.7830927707870714,5.0 -WELQRATE,SimilaritySearch,AID2258,Enrichment factor 5%,1.0713359193556358,5.0 -WELQRATE,SimilaritySearch,AID2258,RIE,1.1931276889770277,5.0 -WELQRATE,SimilaritySearch,AID2258,AUPRC,0.0010453759243211948,5.0 +WELQRATE,SimilaritySearch_Mean,AID2258,AUROC,0.481247202043961,5.0 +WELQRATE,SimilaritySearch_Mean,AID2258,BEDROC,0.06023608376457244,5.0 +WELQRATE,SimilaritySearch_Mean,AID2258,Enrichment factor 1%,1.7830927707870714,5.0 +WELQRATE,SimilaritySearch_Mean,AID2258,Enrichment factor 5%,1.0713359193556358,5.0 +WELQRATE,SimilaritySearch_Mean,AID2258,RIE,1.1931276889770277,5.0 +WELQRATE,SimilaritySearch_Mean,AID2258,AUPRC,0.0010453759243211948,5.0 +WELQRATE,SimilaritySearch_Max,AID2258,AUROC,0.710132527274661,5.0 +WELQRATE,SimilaritySearch_Max,AID2258,BEDROC,0.2795341976509507,5.0 +WELQRATE,SimilaritySearch_Max,AID2258,Enrichment factor 1%,19.614020478657782,5.0 +WELQRATE,SimilaritySearch_Max,AID2258,Enrichment factor 5%,6.070903543015269,5.0 +WELQRATE,SimilaritySearch_Max,AID2258,RIE,5.536880242888749,5.0 +WELQRATE,SimilaritySearch_Max,AID2258,AUPRC,0.022620555795892356,5.0 +WELQRATE,LightGBM_Ranker,AID2258,AUROC,0.6209887203725826,5.0 +WELQRATE,LightGBM_Ranker,AID2258,BEDROC,0.2549734921371492,5.0 +WELQRATE,LightGBM_Ranker,AID2258,Enrichment factor 1%,17.830927707870714,5.0 +WELQRATE,LightGBM_Ranker,AID2258,Enrichment factor 5%,5.713791569896723,5.0 +WELQRATE,LightGBM_Ranker,AID2258,RIE,5.050393490172196,5.0 +WELQRATE,LightGBM_Ranker,AID2258,AUPRC,0.027117093313234843,5.0 +WELQRATE,LightGBM_Ranker,AID2258,accuracy,0.5002162068667301,5.0 +WELQRATE,LightGBM_Ranker,AID2258,F1 score,0.0023478230846252115,5.0 +WELQRATE,LightGBM_Ranker,AID2258,recall,0.6071428571428571,5.0 +WELQRATE,LightGBM_Ranker,AID2258,precision,0.0011761856989656485,5.0 +WELQRATE,LightGBM_Ranker,AID2258,MCC,0.006672866764239976,5.0 WELQRATE,RandomForest,AID2689,AUROC,0.6273109364477077,1.0 WELQRATE,RandomForest,AID2689,BEDROC,0.4308961956472132,1.0 WELQRATE,RandomForest,AID2689,Enrichment factor 1%,18.748460591133004,1.0 @@ -1337,18 +2136,35 @@ WELQRATE,LogisticRegression,AID2689,F1 score,0.0,1.0 WELQRATE,LogisticRegression,AID2689,recall,0.0,1.0 WELQRATE,LogisticRegression,AID2689,precision,0.0,1.0 WELQRATE,LogisticRegression,AID2689,MCC,0.0,1.0 -WELQRATE,SimilaritySearch,AID2689,AUROC,0.6594150897682288,1.0 -WELQRATE,SimilaritySearch,AID2689,BEDROC,0.09072340337920853,1.0 -WELQRATE,SimilaritySearch,AID2689,Enrichment factor 1%,0.0,1.0 -WELQRATE,SimilaritySearch,AID2689,Enrichment factor 5%,1.2498973727422003,1.0 -WELQRATE,SimilaritySearch,AID2689,RIE,1.80970898206477,1.0 -WELQRATE,SimilaritySearch,AID2689,AUPRC,0.0004999494094790171,1.0 -WELQRATE,RandomForest,AID2689,AUROC,0.6930895350747495,2.0 +WELQRATE,SimilaritySearch_Mean,AID2689,AUROC,0.6594150897682288,1.0 +WELQRATE,SimilaritySearch_Mean,AID2689,BEDROC,0.09072340337920853,1.0 +WELQRATE,SimilaritySearch_Mean,AID2689,Enrichment factor 1%,0.0,1.0 +WELQRATE,SimilaritySearch_Mean,AID2689,Enrichment factor 5%,1.2498973727422003,1.0 +WELQRATE,SimilaritySearch_Mean,AID2689,RIE,1.80970898206477,1.0 +WELQRATE,SimilaritySearch_Mean,AID2689,AUPRC,0.0004999494094790171,1.0 +WELQRATE,SimilaritySearch_Max,AID2689,AUROC,0.6792274429606269,1.0 +WELQRATE,SimilaritySearch_Max,AID2689,BEDROC,0.18811341988622737,1.0 +WELQRATE,SimilaritySearch_Max,AID2689,Enrichment factor 1%,12.498973727422003,1.0 +WELQRATE,SimilaritySearch_Max,AID2689,Enrichment factor 5%,4.999589490968801,1.0 +WELQRATE,SimilaritySearch_Max,AID2689,RIE,3.752400471208098,1.0 +WELQRATE,SimilaritySearch_Max,AID2689,AUPRC,0.004283996998494062,1.0 +WELQRATE,LightGBM_Ranker,AID2689,AUROC,0.5857592519588035,1.0 +WELQRATE,LightGBM_Ranker,AID2689,BEDROC,0.11044021871502267,1.0 +WELQRATE,LightGBM_Ranker,AID2689,Enrichment factor 1%,6.2494868637110015,1.0 +WELQRATE,LightGBM_Ranker,AID2689,Enrichment factor 5%,2.4997947454844005,1.0 +WELQRATE,LightGBM_Ranker,AID2689,RIE,2.203010993089034,1.0 +WELQRATE,LightGBM_Ranker,AID2689,AUPRC,0.0005150911068924744,1.0 +WELQRATE,LightGBM_Ranker,AID2689,accuracy,0.5005501272682487,1.0 +WELQRATE,LightGBM_Ranker,AID2689,F1 score,0.000657159755536571,1.0 +WELQRATE,LightGBM_Ranker,AID2689,recall,0.625,1.0 +WELQRATE,LightGBM_Ranker,AID2689,precision,0.00032875271220987574,1.0 +WELQRATE,LightGBM_Ranker,AID2689,MCC,0.004068612360576114,1.0 +WELQRATE,RandomForest,AID2689,AUROC,0.6930905207819944,2.0 WELQRATE,RandomForest,AID2689,BEDROC,0.5081180654544911,2.0 WELQRATE,RandomForest,AID2689,Enrichment factor 1%,27.99770114942529,2.0 WELQRATE,RandomForest,AID2689,Enrichment factor 5%,8.79927750410509,2.0 WELQRATE,RandomForest,AID2689,RIE,10.120754467896015,2.0 -WELQRATE,RandomForest,AID2689,AUPRC,0.028250499968094814,2.0 +WELQRATE,RandomForest,AID2689,AUPRC,0.028250572722064035,2.0 WELQRATE,RandomForest,AID2689,accuracy,0.999573035553001,2.0 WELQRATE,RandomForest,AID2689,F1 score,0.0,2.0 WELQRATE,RandomForest,AID2689,recall,0.0,2.0 @@ -1365,12 +2181,29 @@ WELQRATE,LogisticRegression,AID2689,F1 score,0.0,2.0 WELQRATE,LogisticRegression,AID2689,recall,0.0,2.0 WELQRATE,LogisticRegression,AID2689,precision,0.0,2.0 WELQRATE,LogisticRegression,AID2689,MCC,0.0,2.0 -WELQRATE,SimilaritySearch,AID2689,AUROC,0.7098015442746838,2.0 -WELQRATE,SimilaritySearch,AID2689,BEDROC,0.22190061698982186,2.0 -WELQRATE,SimilaritySearch,AID2689,Enrichment factor 1%,15.998686371100163,2.0 -WELQRATE,SimilaritySearch,AID2689,Enrichment factor 5%,4.799605911330049,2.0 -WELQRATE,SimilaritySearch,AID2689,RIE,4.419842208655143,2.0 -WELQRATE,SimilaritySearch,AID2689,AUPRC,0.0023188435506369134,2.0 +WELQRATE,SimilaritySearch_Mean,AID2689,AUROC,0.7098015442746838,2.0 +WELQRATE,SimilaritySearch_Mean,AID2689,BEDROC,0.22190061698982186,2.0 +WELQRATE,SimilaritySearch_Mean,AID2689,Enrichment factor 1%,15.998686371100163,2.0 +WELQRATE,SimilaritySearch_Mean,AID2689,Enrichment factor 5%,4.799605911330049,2.0 +WELQRATE,SimilaritySearch_Mean,AID2689,RIE,4.419842208655143,2.0 +WELQRATE,SimilaritySearch_Mean,AID2689,AUPRC,0.0023188435506369134,2.0 +WELQRATE,SimilaritySearch_Max,AID2689,AUROC,0.7140588138656153,2.0 +WELQRATE,SimilaritySearch_Max,AID2689,BEDROC,0.2908551844566596,2.0 +WELQRATE,SimilaritySearch_Max,AID2689,Enrichment factor 1%,19.998357963875204,2.0 +WELQRATE,SimilaritySearch_Max,AID2689,Enrichment factor 5%,6.3994745484400655,2.0 +WELQRATE,SimilaritySearch_Max,AID2689,RIE,5.793287262795062,2.0 +WELQRATE,SimilaritySearch_Max,AID2689,AUPRC,0.01225347918046383,2.0 +WELQRATE,LightGBM_Ranker,AID2689,AUROC,0.768336454739609,2.0 +WELQRATE,LightGBM_Ranker,AID2689,BEDROC,0.28277132924820414,2.0 +WELQRATE,LightGBM_Ranker,AID2689,Enrichment factor 1%,19.998357963875204,2.0 +WELQRATE,LightGBM_Ranker,AID2689,Enrichment factor 5%,6.3994745484400655,2.0 +WELQRATE,LightGBM_Ranker,AID2689,RIE,5.6322720992995325,2.0 +WELQRATE,LightGBM_Ranker,AID2689,AUPRC,0.012282413711057375,2.0 +WELQRATE,LightGBM_Ranker,AID2689,accuracy,0.5002545364972494,2.0 +WELQRATE,LightGBM_Ranker,AID2689,F1 score,0.0013126804935678655,2.0 +WELQRATE,LightGBM_Ranker,AID2689,recall,0.8,2.0 +WELQRATE,LightGBM_Ranker,AID2689,precision,0.0006568791670772162,2.0 +WELQRATE,LightGBM_Ranker,AID2689,MCC,0.012159941627815666,2.0 WELQRATE,RandomForest,AID2689,AUROC,0.7544110399211434,3.0 WELQRATE,RandomForest,AID2689,BEDROC,0.5586725168551872,3.0 WELQRATE,RandomForest,AID2689,Enrichment factor 1%,31.997372742200326,3.0 @@ -1393,18 +2226,35 @@ WELQRATE,LogisticRegression,AID2689,F1 score,0.0,3.0 WELQRATE,LogisticRegression,AID2689,recall,0.0,3.0 WELQRATE,LogisticRegression,AID2689,precision,0.0,3.0 WELQRATE,LogisticRegression,AID2689,MCC,0.0,3.0 -WELQRATE,SimilaritySearch,AID2689,AUROC,0.6600029571217348,3.0 -WELQRATE,SimilaritySearch,AID2689,BEDROC,0.24003739968648796,3.0 -WELQRATE,SimilaritySearch,AID2689,Enrichment factor 1%,7.999343185550082,3.0 -WELQRATE,SimilaritySearch,AID2689,Enrichment factor 5%,5.599540229885057,3.0 -WELQRATE,SimilaritySearch,AID2689,RIE,4.781092745172922,3.0 -WELQRATE,SimilaritySearch,AID2689,AUPRC,0.0020809022052276777,3.0 +WELQRATE,SimilaritySearch_Mean,AID2689,AUROC,0.6600029571217348,3.0 +WELQRATE,SimilaritySearch_Mean,AID2689,BEDROC,0.24003739968648796,3.0 +WELQRATE,SimilaritySearch_Mean,AID2689,Enrichment factor 1%,7.999343185550082,3.0 +WELQRATE,SimilaritySearch_Mean,AID2689,Enrichment factor 5%,5.599540229885057,3.0 +WELQRATE,SimilaritySearch_Mean,AID2689,RIE,4.781092745172922,3.0 +WELQRATE,SimilaritySearch_Mean,AID2689,AUPRC,0.0020809022052276777,3.0 +WELQRATE,SimilaritySearch_Max,AID2689,AUROC,0.8024337111877773,3.0 +WELQRATE,SimilaritySearch_Max,AID2689,BEDROC,0.3405601842278131,3.0 +WELQRATE,SimilaritySearch_Max,AID2689,Enrichment factor 1%,23.998029556650245,3.0 +WELQRATE,SimilaritySearch_Max,AID2689,Enrichment factor 5%,6.3994745484400655,3.0 +WELQRATE,SimilaritySearch_Max,AID2689,RIE,6.7833172000366835,3.0 +WELQRATE,SimilaritySearch_Max,AID2689,AUPRC,0.01076323047842514,3.0 +WELQRATE,LightGBM_Ranker,AID2689,AUROC,0.7849564645966814,3.0 +WELQRATE,LightGBM_Ranker,AID2689,BEDROC,0.4183572450257948,3.0 +WELQRATE,LightGBM_Ranker,AID2689,Enrichment factor 1%,23.998029556650245,3.0 +WELQRATE,LightGBM_Ranker,AID2689,Enrichment factor 5%,10.399146141215105,3.0 +WELQRATE,LightGBM_Ranker,AID2689,RIE,8.332888059588486,3.0 +WELQRATE,LightGBM_Ranker,AID2689,AUPRC,0.004844308271564951,3.0 +WELQRATE,LightGBM_Ranker,AID2689,accuracy,0.5002381147877494,3.0 +WELQRATE,LightGBM_Ranker,AID2689,F1 score,0.001247087394571888,3.0 +WELQRATE,LightGBM_Ranker,AID2689,recall,0.76,3.0 +WELQRATE,LightGBM_Ranker,AID2689,precision,0.0006240557051829469,3.0 +WELQRATE,LightGBM_Ranker,AID2689,MCC,0.010539326067702283,3.0 WELQRATE,RandomForest,AID2689,AUROC,0.7001989863810352,4.0 WELQRATE,RandomForest,AID2689,BEDROC,0.4972098833788231,4.0 WELQRATE,RandomForest,AID2689,Enrichment factor 1%,29.164272030651343,4.0 WELQRATE,RandomForest,AID2689,Enrichment factor 5%,9.165914066776136,4.0 WELQRATE,RandomForest,AID2689,RIE,9.90510830852036,4.0 -WELQRATE,RandomForest,AID2689,AUPRC,0.013771009903804149,4.0 +WELQRATE,RandomForest,AID2689,AUPRC,0.01377100990380415,4.0 WELQRATE,RandomForest,AID2689,accuracy,0.999605878972001,4.0 WELQRATE,RandomForest,AID2689,F1 score,0.0,4.0 WELQRATE,RandomForest,AID2689,recall,0.0,4.0 @@ -1421,12 +2271,29 @@ WELQRATE,LogisticRegression,AID2689,F1 score,0.0,4.0 WELQRATE,LogisticRegression,AID2689,recall,0.0,4.0 WELQRATE,LogisticRegression,AID2689,precision,0.0,4.0 WELQRATE,LogisticRegression,AID2689,MCC,0.0,4.0 -WELQRATE,SimilaritySearch,AID2689,AUROC,0.6912754020798081,4.0 -WELQRATE,SimilaritySearch,AID2689,BEDROC,0.17271985615953253,4.0 -WELQRATE,SimilaritySearch,AID2689,Enrichment factor 1%,0.0,4.0 -WELQRATE,SimilaritySearch,AID2689,Enrichment factor 5%,4.166324575807335,4.0 -WELQRATE,SimilaritySearch,AID2689,RIE,3.4408183604389455,4.0 -WELQRATE,SimilaritySearch,AID2689,AUPRC,0.0010853880671207019,4.0 +WELQRATE,SimilaritySearch_Mean,AID2689,AUROC,0.6912754020798081,4.0 +WELQRATE,SimilaritySearch_Mean,AID2689,BEDROC,0.17271985615953253,4.0 +WELQRATE,SimilaritySearch_Mean,AID2689,Enrichment factor 1%,0.0,4.0 +WELQRATE,SimilaritySearch_Mean,AID2689,Enrichment factor 5%,4.166324575807335,4.0 +WELQRATE,SimilaritySearch_Mean,AID2689,RIE,3.4408183604389455,4.0 +WELQRATE,SimilaritySearch_Mean,AID2689,AUPRC,0.0010853880671207019,4.0 +WELQRATE,SimilaritySearch_Max,AID2689,AUROC,0.810142555568333,4.0 +WELQRATE,SimilaritySearch_Max,AID2689,BEDROC,0.2690914038631248,4.0 +WELQRATE,SimilaritySearch_Max,AID2689,Enrichment factor 1%,12.498973727422003,4.0 +WELQRATE,SimilaritySearch_Max,AID2689,Enrichment factor 5%,6.666119321291735,4.0 +WELQRATE,SimilaritySearch_Max,AID2689,RIE,5.360672823887136,4.0 +WELQRATE,SimilaritySearch_Max,AID2689,AUPRC,0.005630059561576765,4.0 +WELQRATE,LightGBM_Ranker,AID2689,AUROC,0.8315919458088964,4.0 +WELQRATE,LightGBM_Ranker,AID2689,BEDROC,0.42470352461476846,4.0 +WELQRATE,LightGBM_Ranker,AID2689,Enrichment factor 1%,16.66529830322934,4.0 +WELQRATE,LightGBM_Ranker,AID2689,Enrichment factor 5%,11.665708812260535,4.0 +WELQRATE,LightGBM_Ranker,AID2689,RIE,8.460681402254565,4.0 +WELQRATE,LightGBM_Ranker,AID2689,AUPRC,0.027438838639585836,4.0 +WELQRATE,LightGBM_Ranker,AID2689,accuracy,0.5003038016257493,4.0 +WELQRATE,LightGBM_Ranker,AID2689,F1 score,0.0013783597518952446,4.0 +WELQRATE,LightGBM_Ranker,AID2689,recall,0.875,4.0 +WELQRATE,LightGBM_Ranker,AID2689,precision,0.0006897231254310769,4.0 +WELQRATE,LightGBM_Ranker,AID2689,MCC,0.014892622294552942,4.0 WELQRATE,RandomForest,AID2689,AUROC,0.7880752418203008,5.0 WELQRATE,RandomForest,AID2689,BEDROC,0.5706990619820259,5.0 WELQRATE,RandomForest,AID2689,Enrichment factor 1%,31.576354679802954,5.0 @@ -1449,12 +2316,29 @@ WELQRATE,LogisticRegression,AID2689,F1 score,0.0,5.0 WELQRATE,LogisticRegression,AID2689,recall,0.0,5.0 WELQRATE,LogisticRegression,AID2689,precision,0.0,5.0 WELQRATE,LogisticRegression,AID2689,MCC,0.0,5.0 -WELQRATE,SimilaritySearch,AID2689,AUROC,0.6829465246004821,5.0 -WELQRATE,SimilaritySearch,AID2689,BEDROC,0.1497589852893825,5.0 -WELQRATE,SimilaritySearch,AID2689,Enrichment factor 1%,0.0,5.0 -WELQRATE,SimilaritySearch,AID2689,Enrichment factor 5%,4.210180623973727,5.0 -WELQRATE,SimilaritySearch,AID2689,RIE,2.9858538213906,5.0 -WELQRATE,SimilaritySearch,AID2689,AUPRC,0.0008040538341844577,5.0 +WELQRATE,SimilaritySearch_Mean,AID2689,AUROC,0.6829465246004821,5.0 +WELQRATE,SimilaritySearch_Mean,AID2689,BEDROC,0.1497589852893825,5.0 +WELQRATE,SimilaritySearch_Mean,AID2689,Enrichment factor 1%,0.0,5.0 +WELQRATE,SimilaritySearch_Mean,AID2689,Enrichment factor 5%,4.210180623973727,5.0 +WELQRATE,SimilaritySearch_Mean,AID2689,RIE,2.9858538213906,5.0 +WELQRATE,SimilaritySearch_Mean,AID2689,AUPRC,0.0008040538341844577,5.0 +WELQRATE,SimilaritySearch_Max,AID2689,AUROC,0.8456046112719211,5.0 +WELQRATE,SimilaritySearch_Max,AID2689,BEDROC,0.18023079726386226,5.0 +WELQRATE,SimilaritySearch_Max,AID2689,Enrichment factor 1%,5.262725779967159,5.0 +WELQRATE,SimilaritySearch_Max,AID2689,Enrichment factor 5%,5.262725779967159,5.0 +WELQRATE,SimilaritySearch_Max,AID2689,RIE,3.5933924928954584,5.0 +WELQRATE,SimilaritySearch_Max,AID2689,AUPRC,0.0014291652475260026,5.0 +WELQRATE,LightGBM_Ranker,AID2689,AUROC,0.8001286480541983,5.0 +WELQRATE,LightGBM_Ranker,AID2689,BEDROC,0.25548329992406754,5.0 +WELQRATE,LightGBM_Ranker,AID2689,Enrichment factor 1%,10.525451559934318,5.0 +WELQRATE,LightGBM_Ranker,AID2689,Enrichment factor 5%,8.420361247947454,5.0 +WELQRATE,LightGBM_Ranker,AID2689,RIE,5.093756354811074,5.0 +WELQRATE,LightGBM_Ranker,AID2689,AUPRC,0.004042503532169752,5.0 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-WELQRATE,SimilaritySearch,AID435008,Enrichment factor 5%,0.0,1.0 -WELQRATE,SimilaritySearch,AID435008,RIE,0.7707031926792499,1.0 -WELQRATE,SimilaritySearch,AID435008,AUPRC,0.000840943438006066,1.0 +WELQRATE,SimilaritySearch_Mean,AID435008,AUROC,0.5950751720749821,1.0 +WELQRATE,SimilaritySearch_Mean,AID435008,BEDROC,0.03877362703831757,1.0 +WELQRATE,SimilaritySearch_Mean,AID435008,Enrichment factor 1%,0.0,1.0 +WELQRATE,SimilaritySearch_Mean,AID435008,Enrichment factor 5%,0.0,1.0 +WELQRATE,SimilaritySearch_Mean,AID435008,RIE,0.7707031926792499,1.0 +WELQRATE,SimilaritySearch_Mean,AID435008,AUPRC,0.000840943438006066,1.0 +WELQRATE,SimilaritySearch_Max,AID435008,AUROC,0.5975833329053926,1.0 +WELQRATE,SimilaritySearch_Max,AID435008,BEDROC,0.1409181829370664,1.0 +WELQRATE,SimilaritySearch_Max,AID435008,Enrichment factor 1%,7.886021872863978,1.0 +WELQRATE,SimilaritySearch_Max,AID435008,Enrichment factor 5%,2.6312368506576806,1.0 +WELQRATE,SimilaritySearch_Max,AID435008,RIE,2.8010299153082405,1.0 +WELQRATE,SimilaritySearch_Max,AID435008,AUPRC,0.0016868542717787109,1.0 +WELQRATE,LightGBM_Ranker,AID435008,AUROC,0.5824359415467149,1.0 +WELQRATE,LightGBM_Ranker,AID435008,BEDROC,0.1235546343659977,1.0 +WELQRATE,LightGBM_Ranker,AID435008,Enrichment factor 1%,10.514695830485305,1.0 +WELQRATE,LightGBM_Ranker,AID435008,Enrichment factor 5%,2.6312368506576806,1.0 +WELQRATE,LightGBM_Ranker,AID435008,RIE,2.455894764899906,1.0 +WELQRATE,LightGBM_Ranker,AID435008,AUPRC,0.0015940015941364606,1.0 +WELQRATE,LightGBM_Ranker,AID435008,accuracy,0.5001625170642917,1.0 +WELQRATE,LightGBM_Ranker,AID435008,F1 score,0.0015582391897156214,1.0 +WELQRATE,LightGBM_Ranker,AID435008,recall,0.631578947368421,1.0 +WELQRATE,LightGBM_Ranker,AID435008,precision,0.000780081908600403,1.0 +WELQRATE,LightGBM_Ranker,AID435008,MCC,0.006541718169952849,1.0 WELQRATE,RandomForest,AID435008,AUROC,0.6580515886995035,2.0 WELQRATE,RandomForest,AID435008,BEDROC,0.3586549934393445,2.0 WELQRATE,RandomForest,AID435008,Enrichment factor 1%,18.498075998075997,2.0 @@ -1505,12 +2406,29 @@ WELQRATE,LogisticRegression,AID435008,F1 score,0.0,2.0 WELQRATE,LogisticRegression,AID435008,recall,0.0,2.0 WELQRATE,LogisticRegression,AID435008,precision,0.0,2.0 WELQRATE,LogisticRegression,AID435008,MCC,0.0,2.0 -WELQRATE,SimilaritySearch,AID435008,AUROC,0.6802367768955851,2.0 -WELQRATE,SimilaritySearch,AID435008,BEDROC,0.07909030559025942,2.0 -WELQRATE,SimilaritySearch,AID435008,Enrichment factor 1%,0.0,2.0 -WELQRATE,SimilaritySearch,AID435008,Enrichment factor 5%,0.7406444468517916,2.0 -WELQRATE,SimilaritySearch,AID435008,RIE,1.5748855098751353,2.0 -WELQRATE,SimilaritySearch,AID435008,AUPRC,0.000802536404919302,2.0 +WELQRATE,SimilaritySearch_Mean,AID435008,AUROC,0.6802367768955851,2.0 +WELQRATE,SimilaritySearch_Mean,AID435008,BEDROC,0.07909030559025942,2.0 +WELQRATE,SimilaritySearch_Mean,AID435008,Enrichment factor 1%,0.0,2.0 +WELQRATE,SimilaritySearch_Mean,AID435008,Enrichment factor 5%,0.7406444468517916,2.0 +WELQRATE,SimilaritySearch_Mean,AID435008,RIE,1.5748855098751353,2.0 +WELQRATE,SimilaritySearch_Mean,AID435008,AUPRC,0.000802536404919302,2.0 +WELQRATE,SimilaritySearch_Max,AID435008,AUROC,0.7184366221355083,2.0 +WELQRATE,SimilaritySearch_Max,AID435008,BEDROC,0.23181674589441792,2.0 +WELQRATE,SimilaritySearch_Max,AID435008,Enrichment factor 1%,14.7984607984608,2.0 +WELQRATE,SimilaritySearch_Max,AID435008,Enrichment factor 5%,5.1845111279625415,2.0 +WELQRATE,SimilaritySearch_Max,AID435008,RIE,4.616050285901638,2.0 +WELQRATE,SimilaritySearch_Max,AID435008,AUPRC,0.002724936921999791,2.0 +WELQRATE,LightGBM_Ranker,AID435008,AUROC,0.6280576406013363,2.0 +WELQRATE,LightGBM_Ranker,AID435008,BEDROC,0.07843147891291063,2.0 +WELQRATE,LightGBM_Ranker,AID435008,Enrichment factor 1%,0.0,2.0 +WELQRATE,LightGBM_Ranker,AID435008,Enrichment factor 5%,1.4812888937035833,2.0 +WELQRATE,LightGBM_Ranker,AID435008,RIE,1.5617666256749305,2.0 +WELQRATE,LightGBM_Ranker,AID435008,AUPRC,0.0007294892049865942,2.0 +WELQRATE,LightGBM_Ranker,AID435008,accuracy,0.5001462653578626,2.0 +WELQRATE,LightGBM_Ranker,AID435008,F1 score,0.0011690968726658657,2.0 +WELQRATE,LightGBM_Ranker,AID435008,recall,0.6666666666666666,2.0 +WELQRATE,LightGBM_Ranker,AID435008,precision,0.0005850614314503022,2.0 +WELQRATE,LightGBM_Ranker,AID435008,MCC,0.006984019060252106,2.0 WELQRATE,RandomForest,AID435008,AUROC,0.6718668995452746,3.0 WELQRATE,RandomForest,AID435008,BEDROC,0.3599701768503089,3.0 WELQRATE,RandomForest,AID435008,Enrichment factor 1%,17.627578304048892,3.0 @@ -1533,12 +2451,29 @@ WELQRATE,LogisticRegression,AID435008,F1 score,0.0,3.0 WELQRATE,LogisticRegression,AID435008,recall,0.0,3.0 WELQRATE,LogisticRegression,AID435008,precision,0.0,3.0 WELQRATE,LogisticRegression,AID435008,MCC,0.0,3.0 -WELQRATE,SimilaritySearch,AID435008,AUROC,0.5509763110421573,3.0 -WELQRATE,SimilaritySearch,AID435008,BEDROC,0.04883267492688661,3.0 -WELQRATE,SimilaritySearch,AID435008,Enrichment factor 1%,0.0,3.0 -WELQRATE,SimilaritySearch,AID435008,Enrichment factor 5%,0.5881588254411286,3.0 -WELQRATE,SimilaritySearch,AID435008,RIE,0.9712767874255941,3.0 -WELQRATE,SimilaritySearch,AID435008,AUPRC,0.0006652730915287845,3.0 +WELQRATE,SimilaritySearch_Mean,AID435008,AUROC,0.5509763110421573,3.0 +WELQRATE,SimilaritySearch_Mean,AID435008,BEDROC,0.04883267492688661,3.0 +WELQRATE,SimilaritySearch_Mean,AID435008,Enrichment factor 1%,0.0,3.0 +WELQRATE,SimilaritySearch_Mean,AID435008,Enrichment factor 5%,0.5881588254411286,3.0 +WELQRATE,SimilaritySearch_Mean,AID435008,RIE,0.9712767874255941,3.0 +WELQRATE,SimilaritySearch_Mean,AID435008,AUPRC,0.0006652730915287845,3.0 +WELQRATE,SimilaritySearch_Max,AID435008,AUROC,0.6522940487782481,3.0 +WELQRATE,SimilaritySearch_Max,AID435008,BEDROC,0.14086525481104697,3.0 +WELQRATE,SimilaritySearch_Max,AID435008,Enrichment factor 1%,8.813789152024446,3.0 +WELQRATE,SimilaritySearch_Max,AID435008,Enrichment factor 5%,2.3526353017645145,3.0 +WELQRATE,SimilaritySearch_Max,AID435008,RIE,2.8017950796818667,3.0 +WELQRATE,SimilaritySearch_Max,AID435008,AUPRC,0.0016751867011997428,3.0 +WELQRATE,LightGBM_Ranker,AID435008,AUROC,0.6093985839807321,3.0 +WELQRATE,LightGBM_Ranker,AID435008,BEDROC,0.06793608603220572,3.0 +WELQRATE,LightGBM_Ranker,AID435008,Enrichment factor 1%,0.0,3.0 +WELQRATE,LightGBM_Ranker,AID435008,Enrichment factor 5%,1.1763176508822573,3.0 +WELQRATE,LightGBM_Ranker,AID435008,RIE,1.3512416163676193,3.0 +WELQRATE,LightGBM_Ranker,AID435008,AUPRC,0.0008605539253435919,3.0 +WELQRATE,LightGBM_Ranker,AID435008,accuracy,0.5001625170642917,3.0 +WELQRATE,LightGBM_Ranker,AID435008,F1 score,0.0014285714285714286,3.0 +WELQRATE,LightGBM_Ranker,AID435008,recall,0.6470588235294118,3.0 +WELQRATE,LightGBM_Ranker,AID435008,precision,0.0007150750828837027,3.0 +WELQRATE,LightGBM_Ranker,AID435008,MCC,0.006915602862708467,3.0 WELQRATE,RandomForest,AID435008,AUROC,0.586901841896719,4.0 WELQRATE,RandomForest,AID435008,BEDROC,0.2170574823719517,4.0 WELQRATE,RandomForest,AID435008,Enrichment factor 1%,6.810655253837072,4.0 @@ -1561,12 +2496,29 @@ WELQRATE,LogisticRegression,AID435008,F1 score,0.0,4.0 WELQRATE,LogisticRegression,AID435008,recall,0.0,4.0 WELQRATE,LogisticRegression,AID435008,precision,0.0,4.0 WELQRATE,LogisticRegression,AID435008,MCC,0.0,4.0 -WELQRATE,SimilaritySearch,AID435008,AUROC,0.5983782127480898,4.0 -WELQRATE,SimilaritySearch,AID435008,BEDROC,0.07034561398666336,4.0 -WELQRATE,SimilaritySearch,AID435008,Enrichment factor 1%,0.0,4.0 -WELQRATE,SimilaritySearch,AID435008,Enrichment factor 5%,1.3634590953407983,4.0 -WELQRATE,SimilaritySearch,AID435008,RIE,1.3968996310614066,4.0 -WELQRATE,SimilaritySearch,AID435008,AUPRC,0.001001953841308385,4.0 +WELQRATE,SimilaritySearch_Mean,AID435008,AUROC,0.5983782127480898,4.0 +WELQRATE,SimilaritySearch_Mean,AID435008,BEDROC,0.07034561398666336,4.0 +WELQRATE,SimilaritySearch_Mean,AID435008,Enrichment factor 1%,0.0,4.0 +WELQRATE,SimilaritySearch_Mean,AID435008,Enrichment factor 5%,1.3634590953407983,4.0 +WELQRATE,SimilaritySearch_Mean,AID435008,RIE,1.3968996310614066,4.0 +WELQRATE,SimilaritySearch_Mean,AID435008,AUPRC,0.001001953841308385,4.0 +WELQRATE,SimilaritySearch_Max,AID435008,AUROC,0.610511770219762,4.0 +WELQRATE,SimilaritySearch_Max,AID435008,BEDROC,0.09968279814346412,4.0 +WELQRATE,SimilaritySearch_Max,AID435008,Enrichment factor 1%,2.270218417945691,4.0 +WELQRATE,SimilaritySearch_Max,AID435008,Enrichment factor 5%,2.272431825567997,4.0 +WELQRATE,SimilaritySearch_Max,AID435008,RIE,1.9794675863958624,4.0 +WELQRATE,SimilaritySearch_Max,AID435008,AUPRC,0.0013068770368159976,4.0 +WELQRATE,LightGBM_Ranker,AID435008,AUROC,0.5102183648546353,4.0 +WELQRATE,LightGBM_Ranker,AID435008,BEDROC,0.06108897839715864,4.0 +WELQRATE,LightGBM_Ranker,AID435008,Enrichment factor 1%,2.270218417945691,4.0 +WELQRATE,LightGBM_Ranker,AID435008,Enrichment factor 5%,1.3634590953407983,4.0 +WELQRATE,LightGBM_Ranker,AID435008,RIE,1.213084468712097,4.0 +WELQRATE,LightGBM_Ranker,AID435008,AUPRC,0.0008744295554451882,4.0 +WELQRATE,LightGBM_Ranker,AID435008,accuracy,0.5000650068257168,4.0 +WELQRATE,LightGBM_Ranker,AID435008,F1 score,0.001557935735150925,4.0 +WELQRATE,LightGBM_Ranker,AID435008,recall,0.5454545454545454,4.0 +WELQRATE,LightGBM_Ranker,AID435008,precision,0.000780081908600403,4.0 +WELQRATE,LightGBM_Ranker,AID435008,MCC,0.002431859440874379,4.0 WELQRATE,RandomForest,AID435008,AUROC,0.6649302798943245,5.0 WELQRATE,RandomForest,AID435008,BEDROC,0.3957840863836124,5.0 WELQRATE,RandomForest,AID435008,Enrichment factor 1%,23.503437738731858,5.0 @@ -1589,12 +2541,29 @@ WELQRATE,LogisticRegression,AID435008,F1 score,0.0,5.0 WELQRATE,LogisticRegression,AID435008,recall,0.0,5.0 WELQRATE,LogisticRegression,AID435008,precision,0.0,5.0 WELQRATE,LogisticRegression,AID435008,MCC,0.0,5.0 -WELQRATE,SimilaritySearch,AID435008,AUROC,0.632762088867548,5.0 -WELQRATE,SimilaritySearch,AID435008,BEDROC,0.0370648861634083,5.0 -WELQRATE,SimilaritySearch,AID435008,Enrichment factor 1%,0.0,5.0 -WELQRATE,SimilaritySearch,AID435008,Enrichment factor 5%,0.0,5.0 -WELQRATE,SimilaritySearch,AID435008,RIE,0.7372167119820033,5.0 -WELQRATE,SimilaritySearch,AID435008,AUPRC,0.0007970589319142763,5.0 +WELQRATE,SimilaritySearch_Mean,AID435008,AUROC,0.632762088867548,5.0 +WELQRATE,SimilaritySearch_Mean,AID435008,BEDROC,0.0370648861634083,5.0 +WELQRATE,SimilaritySearch_Mean,AID435008,Enrichment factor 1%,0.0,5.0 +WELQRATE,SimilaritySearch_Mean,AID435008,Enrichment factor 5%,0.0,5.0 +WELQRATE,SimilaritySearch_Mean,AID435008,RIE,0.7372167119820033,5.0 +WELQRATE,SimilaritySearch_Mean,AID435008,AUPRC,0.0007970589319142763,5.0 +WELQRATE,SimilaritySearch_Max,AID435008,AUROC,0.7064564988244477,5.0 +WELQRATE,SimilaritySearch_Max,AID435008,BEDROC,0.225421531024447,5.0 +WELQRATE,SimilaritySearch_Max,AID435008,Enrichment factor 1%,17.627578304048892,5.0 +WELQRATE,SimilaritySearch_Max,AID435008,Enrichment factor 5%,4.1171117780879,5.0 +WELQRATE,SimilaritySearch_Max,AID435008,RIE,4.483610481668029,5.0 +WELQRATE,SimilaritySearch_Max,AID435008,AUPRC,0.034285135347822536,5.0 +WELQRATE,LightGBM_Ranker,AID435008,AUROC,0.5282352558571967,5.0 +WELQRATE,LightGBM_Ranker,AID435008,BEDROC,0.0661665638817103,5.0 +WELQRATE,LightGBM_Ranker,AID435008,Enrichment factor 1%,0.0,5.0 +WELQRATE,LightGBM_Ranker,AID435008,Enrichment factor 5%,1.1763176508822573,5.0 +WELQRATE,LightGBM_Ranker,AID435008,RIE,1.3160460077134712,5.0 +WELQRATE,LightGBM_Ranker,AID435008,AUPRC,0.0006808996949969133,5.0 +WELQRATE,LightGBM_Ranker,AID435008,accuracy,0.5,5.0 +WELQRATE,LightGBM_Ranker,AID435008,F1 score,0.001103896103896104,5.0 +WELQRATE,LightGBM_Ranker,AID435008,recall,0.5,5.0 +WELQRATE,LightGBM_Ranker,AID435008,precision,0.0005525580185919522,5.0 +WELQRATE,LightGBM_Ranker,AID435008,MCC,0.0,5.0 WELQRATE,RandomForest,AID435034,AUROC,0.7572714043619215,1.0 WELQRATE,RandomForest,AID435034,BEDROC,0.32891995263184254,1.0 WELQRATE,RandomForest,AID435034,Enrichment factor 1%,0.0,1.0 @@ -1617,12 +2586,29 @@ WELQRATE,LogisticRegression,AID435034,F1 score,0.0,1.0 WELQRATE,LogisticRegression,AID435034,recall,0.0,1.0 WELQRATE,LogisticRegression,AID435034,precision,0.0,1.0 WELQRATE,LogisticRegression,AID435034,MCC,-0.00024859132953212846,1.0 -WELQRATE,SimilaritySearch,AID435034,AUROC,0.6375257883878573,1.0 -WELQRATE,SimilaritySearch,AID435034,BEDROC,0.03744335042401048,1.0 -WELQRATE,SimilaritySearch,AID435034,Enrichment factor 1%,0.0,1.0 -WELQRATE,SimilaritySearch,AID435034,Enrichment factor 5%,0.0,1.0 -WELQRATE,SimilaritySearch,AID435034,RIE,0.743312148721752,1.0 -WELQRATE,SimilaritySearch,AID435034,AUPRC,0.0011724358558507198,1.0 +WELQRATE,SimilaritySearch_Mean,AID435034,AUROC,0.6375257883878573,1.0 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1%,22.17263544536272,1.0 +WELQRATE,LightGBM_Ranker,AID435034,Enrichment factor 5%,6.66280353200883,1.0 +WELQRATE,LightGBM_Ranker,AID435034,RIE,5.510961504914729,1.0 +WELQRATE,LightGBM_Ranker,AID435034,AUPRC,0.006658144914344025,1.0 +WELQRATE,LightGBM_Ranker,AID435034,accuracy,0.5006212209061542,1.0 +WELQRATE,LightGBM_Ranker,AID435034,F1 score,0.0026468155500413565,1.0 +WELQRATE,LightGBM_Ranker,AID435034,recall,0.8888888888888888,1.0 +WELQRATE,LightGBM_Ranker,AID435034,precision,0.0013253810470510272,1.0 +WELQRATE,LightGBM_Ranker,AID435034,MCC,0.021246009447254872,1.0 WELQRATE,RandomForest,AID435034,AUROC,0.8111536516365591,2.0 WELQRATE,RandomForest,AID435034,BEDROC,0.4340654418194745,2.0 WELQRATE,RandomForest,AID435034,Enrichment factor 1%,28.507674144037782,2.0 @@ -1645,12 +2631,29 @@ WELQRATE,LogisticRegression,AID435034,F1 score,0.0,2.0 WELQRATE,LogisticRegression,AID435034,recall,0.0,2.0 WELQRATE,LogisticRegression,AID435034,precision,0.0,2.0 WELQRATE,LogisticRegression,AID435034,MCC,0.0,2.0 -WELQRATE,SimilaritySearch,AID435034,AUROC,0.40091350180961866,2.0 -WELQRATE,SimilaritySearch,AID435034,BEDROC,0.040884831910971586,2.0 -WELQRATE,SimilaritySearch,AID435034,Enrichment factor 1%,0.0,2.0 -WELQRATE,SimilaritySearch,AID435034,Enrichment factor 5%,0.0,2.0 -WELQRATE,SimilaritySearch,AID435034,RIE,0.8036370222869091,2.0 -WELQRATE,SimilaritySearch,AID435034,AUPRC,0.001601191551474309,2.0 +WELQRATE,SimilaritySearch_Mean,AID435034,AUROC,0.40091350180961866,2.0 +WELQRATE,SimilaritySearch_Mean,AID435034,BEDROC,0.040884831910971586,2.0 +WELQRATE,SimilaritySearch_Mean,AID435034,Enrichment factor 1%,0.0,2.0 +WELQRATE,SimilaritySearch_Mean,AID435034,Enrichment factor 5%,0.0,2.0 +WELQRATE,SimilaritySearch_Mean,AID435034,RIE,0.8036370222869091,2.0 +WELQRATE,SimilaritySearch_Mean,AID435034,AUPRC,0.001601191551474309,2.0 +WELQRATE,SimilaritySearch_Max,AID435034,AUROC,0.6859521438844373,2.0 +WELQRATE,SimilaritySearch_Max,AID435034,BEDROC,0.19276034572995202,2.0 +WELQRATE,SimilaritySearch_Max,AID435034,Enrichment factor 1%,9.502558048012594,2.0 +WELQRATE,SimilaritySearch_Max,AID435034,Enrichment factor 5%,3.8073163040050457,2.0 +WELQRATE,SimilaritySearch_Max,AID435034,RIE,3.7889196713290874,2.0 +WELQRATE,SimilaritySearch_Max,AID435034,AUPRC,0.010052274210649534,2.0 +WELQRATE,LightGBM_Ranker,AID435034,AUROC,0.7632145622935533,2.0 +WELQRATE,LightGBM_Ranker,AID435034,BEDROC,0.4036575481925531,2.0 +WELQRATE,LightGBM_Ranker,AID435034,Enrichment factor 1%,23.756395120031485,2.0 +WELQRATE,LightGBM_Ranker,AID435034,Enrichment factor 5%,9.518290760012613,2.0 +WELQRATE,LightGBM_Ranker,AID435034,RIE,7.934339452384384,2.0 +WELQRATE,LightGBM_Ranker,AID435034,AUPRC,0.026039006051443696,2.0 +WELQRATE,LightGBM_Ranker,AID435034,accuracy,0.5011181976310776,2.0 +WELQRATE,LightGBM_Ranker,AID435034,F1 score,0.005613339937262671,2.0 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-WELQRATE,SimilaritySearch,AID435034,RIE,1.5800023597228803,3.0 -WELQRATE,SimilaritySearch,AID435034,AUPRC,0.0028876054342014527,3.0 +WELQRATE,SimilaritySearch_Mean,AID435034,AUROC,0.587293774186978,3.0 +WELQRATE,SimilaritySearch_Mean,AID435034,BEDROC,0.08044843795171557,3.0 +WELQRATE,SimilaritySearch_Mean,AID435034,Enrichment factor 1%,0.0,3.0 +WELQRATE,SimilaritySearch_Mean,AID435034,Enrichment factor 5%,1.8171282360024081,3.0 +WELQRATE,SimilaritySearch_Mean,AID435034,RIE,1.5800023597228803,3.0 +WELQRATE,SimilaritySearch_Mean,AID435034,AUPRC,0.0028876054342014527,3.0 +WELQRATE,SimilaritySearch_Max,AID435034,AUROC,0.6707063163373843,3.0 +WELQRATE,SimilaritySearch_Max,AID435034,BEDROC,0.19835227986178683,3.0 +WELQRATE,SimilaritySearch_Max,AID435034,Enrichment factor 1%,13.605935386927122,3.0 +WELQRATE,SimilaritySearch_Max,AID435034,Enrichment factor 5%,2.725692354003612,3.0 +WELQRATE,SimilaritySearch_Max,AID435034,RIE,3.895626481599584,3.0 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1%,33.25895316804408,4.0 @@ -1701,12 +2721,29 @@ WELQRATE,LogisticRegression,AID435034,F1 score,0.0,4.0 WELQRATE,LogisticRegression,AID435034,recall,0.0,4.0 WELQRATE,LogisticRegression,AID435034,precision,0.0,4.0 WELQRATE,LogisticRegression,AID435034,MCC,0.0,4.0 -WELQRATE,SimilaritySearch,AID435034,AUROC,0.4955631116271355,4.0 -WELQRATE,SimilaritySearch,AID435034,BEDROC,0.08251411389994774,4.0 -WELQRATE,SimilaritySearch,AID435034,Enrichment factor 1%,0.0,4.0 -WELQRATE,SimilaritySearch,AID435034,Enrichment factor 5%,2.665121412803532,4.0 -WELQRATE,SimilaritySearch,AID435034,RIE,1.6299473046334545,4.0 -WELQRATE,SimilaritySearch,AID435034,AUPRC,0.0017502565421132666,4.0 +WELQRATE,SimilaritySearch_Mean,AID435034,AUROC,0.4955631116271355,4.0 +WELQRATE,SimilaritySearch_Mean,AID435034,BEDROC,0.08251411389994774,4.0 +WELQRATE,SimilaritySearch_Mean,AID435034,Enrichment factor 1%,0.0,4.0 +WELQRATE,SimilaritySearch_Mean,AID435034,Enrichment factor 5%,2.665121412803532,4.0 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+WELQRATE,LightGBM_Ranker,AID435034,AUPRC,0.02318884297321757,4.0 +WELQRATE,LightGBM_Ranker,AID435034,accuracy,0.500786879814462,4.0 +WELQRATE,LightGBM_Ranker,AID435034,F1 score,0.0039662865642042635,4.0 +WELQRATE,LightGBM_Ranker,AID435034,recall,0.8,4.0 +WELQRATE,LightGBM_Ranker,AID435034,precision,0.0019880715705765406,4.0 +WELQRATE,LightGBM_Ranker,AID435034,MCC,0.02116504476957617,4.0 WELQRATE,RandomForest,AID435034,AUROC,0.7619375789283781,5.0 WELQRATE,RandomForest,AID435034,BEDROC,0.3914839361022231,5.0 WELQRATE,RandomForest,AID435034,Enrichment factor 1%,13.014372978799857,5.0 @@ -1729,13 +2766,30 @@ WELQRATE,LogisticRegression,AID435034,F1 score,0.0,5.0 WELQRATE,LogisticRegression,AID435034,recall,0.0,5.0 WELQRATE,LogisticRegression,AID435034,precision,0.0,5.0 WELQRATE,LogisticRegression,AID435034,MCC,0.0,5.0 -WELQRATE,SimilaritySearch,AID435034,AUROC,0.4087858560346383,5.0 -WELQRATE,SimilaritySearch,AID435034,BEDROC,0.014687339616085975,5.0 -WELQRATE,SimilaritySearch,AID435034,Enrichment factor 1%,0.0,5.0 -WELQRATE,SimilaritySearch,AID435034,Enrichment factor 5%,0.0,5.0 -WELQRATE,SimilaritySearch,AID435034,RIE,0.2882211319629051,5.0 -WELQRATE,SimilaritySearch,AID435034,AUPRC,0.001561008485864858,5.0 -WELQRATE,RandomForest,AID463087,AUROC,0.8031988788809838,1.0 +WELQRATE,SimilaritySearch_Mean,AID435034,AUROC,0.4087858560346383,5.0 +WELQRATE,SimilaritySearch_Mean,AID435034,BEDROC,0.014687339616085975,5.0 +WELQRATE,SimilaritySearch_Mean,AID435034,Enrichment factor 1%,0.0,5.0 +WELQRATE,SimilaritySearch_Mean,AID435034,Enrichment factor 5%,0.0,5.0 +WELQRATE,SimilaritySearch_Mean,AID435034,RIE,0.2882211319629051,5.0 +WELQRATE,SimilaritySearch_Mean,AID435034,AUPRC,0.001561008485864858,5.0 +WELQRATE,SimilaritySearch_Max,AID435034,AUROC,0.6363160743279812,5.0 +WELQRATE,SimilaritySearch_Max,AID435034,BEDROC,0.21900249893881205,5.0 +WELQRATE,SimilaritySearch_Max,AID435034,Enrichment factor 1%,17.352497305066475,5.0 +WELQRATE,SimilaritySearch_Max,AID435034,Enrichment factor 5%,4.345306651310106,5.0 +WELQRATE,SimilaritySearch_Max,AID435034,RIE,4.29765643144155,5.0 +WELQRATE,SimilaritySearch_Max,AID435034,AUPRC,0.011874786187297039,5.0 +WELQRATE,LightGBM_Ranker,AID435034,AUROC,0.7687082807144145,5.0 +WELQRATE,LightGBM_Ranker,AID435034,BEDROC,0.28889617810834106,5.0 +WELQRATE,LightGBM_Ranker,AID435034,Enrichment factor 1%,13.014372978799857,5.0 +WELQRATE,LightGBM_Ranker,AID435034,Enrichment factor 5%,5.214367981572128,5.0 +WELQRATE,LightGBM_Ranker,AID435034,RIE,5.6692344651110975,5.0 +WELQRATE,LightGBM_Ranker,AID435034,AUPRC,0.025555265874170847,5.0 +WELQRATE,LightGBM_Ranker,AID435034,accuracy,0.5014495154476932,5.0 +WELQRATE,LightGBM_Ranker,AID435034,F1 score,0.006601749463607856,5.0 +WELQRATE,LightGBM_Ranker,AID435034,recall,0.8695652173913043,5.0 +WELQRATE,LightGBM_Ranker,AID435034,precision,0.0033134526176275677,5.0 +WELQRATE,LightGBM_Ranker,AID435034,MCC,0.032295361275231874,5.0 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WELQRATE,RandomForest,AID463087,RIE,8.506618851770916,2.0 -WELQRATE,RandomForest,AID463087,AUPRC,0.12162528986557206,2.0 +WELQRATE,RandomForest,AID463087,AUPRC,0.12162528986557204,2.0 WELQRATE,RandomForest,AID463087,accuracy,0.9937794040773654,2.0 WELQRATE,RandomForest,AID463087,F1 score,0.07751937984496124,2.0 WELQRATE,RandomForest,AID463087,recall,0.0423728813559322,2.0 @@ -1785,12 +2856,29 @@ WELQRATE,LogisticRegression,AID463087,F1 score,0.0,2.0 WELQRATE,LogisticRegression,AID463087,recall,0.0,2.0 WELQRATE,LogisticRegression,AID463087,precision,0.0,2.0 WELQRATE,LogisticRegression,AID463087,MCC,-0.000986652678613851,2.0 -WELQRATE,SimilaritySearch,AID463087,AUROC,0.665235070089542,2.0 -WELQRATE,SimilaritySearch,AID463087,BEDROC,0.09826888645946134,2.0 -WELQRATE,SimilaritySearch,AID463087,Enrichment factor 1%,0.0,2.0 -WELQRATE,SimilaritySearch,AID463087,Enrichment factor 5%,1.694029718576767,2.0 -WELQRATE,SimilaritySearch,AID463087,RIE,1.848982180574849,2.0 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WELQRATE,RandomForest,AID463087,BEDROC,0.39071017813235426,5.0 WELQRATE,RandomForest,AID463087,Enrichment factor 1%,22.226362179487182,5.0 @@ -1869,17 +2991,34 @@ WELQRATE,LogisticRegression,AID463087,F1 score,0.0,5.0 WELQRATE,LogisticRegression,AID463087,recall,0.0,5.0 WELQRATE,LogisticRegression,AID463087,precision,0.0,5.0 WELQRATE,LogisticRegression,AID463087,MCC,-0.0008458144335227716,5.0 -WELQRATE,SimilaritySearch,AID463087,AUROC,0.605367004048583,5.0 -WELQRATE,SimilaritySearch,AID463087,BEDROC,0.11167815220348697,5.0 -WELQRATE,SimilaritySearch,AID463087,Enrichment factor 1%,0.766426282051282,5.0 -WELQRATE,SimilaritySearch,AID463087,Enrichment factor 5%,1.998955067920585,5.0 -WELQRATE,SimilaritySearch,AID463087,RIE,2.0884278795309483,5.0 -WELQRATE,SimilaritySearch,AID463087,AUPRC,0.010894102394422761,5.0 -WELQRATE,RandomForest,AID485290,AUROC,0.7292545162310938,1.0 -WELQRATE,RandomForest,AID485290,BEDROC,0.3403237811446725,1.0 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-WELQRATE,RandomForest,AID485290,RIE,6.662084979655115,1.0 +WELQRATE,RandomForest,AID485290,RIE,6.662025382891751,1.0 WELQRATE,RandomForest,AID485290,AUPRC,0.03251311859233693,1.0 WELQRATE,RandomForest,AID485290,accuracy,0.9978303010901848,1.0 WELQRATE,RandomForest,AID485290,F1 score,0.016129032258064516,1.0 @@ -1897,18 +3036,35 @@ WELQRATE,LogisticRegression,AID485290,F1 score,0.0,1.0 WELQRATE,LogisticRegression,AID485290,recall,0.0,1.0 WELQRATE,LogisticRegression,AID485290,precision,0.0,1.0 WELQRATE,LogisticRegression,AID485290,MCC,0.0,1.0 -WELQRATE,SimilaritySearch,AID485290,AUROC,0.5185272853357781,1.0 -WELQRATE,SimilaritySearch,AID485290,BEDROC,0.061200342419960745,1.0 -WELQRATE,SimilaritySearch,AID485290,Enrichment factor 1%,1.6508080971184476,1.0 -WELQRATE,SimilaritySearch,AID485290,Enrichment factor 5%,0.8262846360932485,1.0 -WELQRATE,SimilaritySearch,AID485290,RIE,1.1980411488492761,1.0 -WELQRATE,SimilaritySearch,AID485290,AUPRC,0.0025380278731587437,1.0 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+WELQRATE,SimilaritySearch_Max,AID485290,AUPRC,0.008711088399353126,1.0 +WELQRATE,LightGBM_Ranker,AID485290,AUROC,0.6853853872136794,1.0 +WELQRATE,LightGBM_Ranker,AID485290,BEDROC,0.18887393109677936,1.0 +WELQRATE,LightGBM_Ranker,AID485290,Enrichment factor 1%,9.079444534151461,1.0 +WELQRATE,LightGBM_Ranker,AID485290,Enrichment factor 5%,4.627193962122192,1.0 +WELQRATE,LightGBM_Ranker,AID485290,RIE,3.6973442806598644,1.0 +WELQRATE,LightGBM_Ranker,AID485290,AUPRC,0.016326770572940096,1.0 +WELQRATE,LightGBM_Ranker,AID485290,accuracy,0.5012360170019029,1.0 +WELQRATE,LightGBM_Ranker,AID485290,F1 score,0.0067292367628829465,1.0 +WELQRATE,LightGBM_Ranker,AID485290,recall,0.7851239669421488,1.0 +WELQRATE,LightGBM_Ranker,AID485290,precision,0.0033790993810912714,1.0 +WELQRATE,LightGBM_Ranker,AID485290,MCC,0.026482413090168654,1.0 +WELQRATE,RandomForest,AID485290,AUROC,0.748225898483907,2.0 +WELQRATE,RandomForest,AID485290,BEDROC,0.37245713873887,2.0 WELQRATE,RandomForest,AID485290,Enrichment factor 1%,25.39166691754222,2.0 WELQRATE,RandomForest,AID485290,Enrichment factor 5%,8.303460351520119,2.0 -WELQRATE,RandomForest,AID485290,RIE,7.293826143533056,2.0 -WELQRATE,RandomForest,AID485290,AUPRC,0.046664413322888315,2.0 +WELQRATE,RandomForest,AID485290,RIE,7.2949822843209855,2.0 +WELQRATE,RandomForest,AID485290,AUPRC,0.046679747933402245,2.0 WELQRATE,RandomForest,AID485290,accuracy,0.9979192231766526,2.0 WELQRATE,RandomForest,AID485290,F1 score,0.01680672268907563,2.0 WELQRATE,RandomForest,AID485290,recall,0.00847457627118644,2.0 @@ -1925,12 +3081,29 @@ WELQRATE,LogisticRegression,AID485290,F1 score,0.0,2.0 WELQRATE,LogisticRegression,AID485290,recall,0.0,2.0 WELQRATE,LogisticRegression,AID485290,precision,0.0,2.0 WELQRATE,LogisticRegression,AID485290,MCC,0.0,2.0 -WELQRATE,SimilaritySearch,AID485290,AUROC,0.5446968161474124,2.0 -WELQRATE,SimilaritySearch,AID485290,BEDROC,0.06178949705202896,2.0 -WELQRATE,SimilaritySearch,AID485290,Enrichment factor 1%,1.6927777945028148,2.0 -WELQRATE,SimilaritySearch,AID485290,Enrichment factor 5%,1.1862086216457313,2.0 -WELQRATE,SimilaritySearch,AID485290,RIE,1.2102152235747827,2.0 -WELQRATE,SimilaritySearch,AID485290,AUPRC,0.0025300858211966797,2.0 +WELQRATE,SimilaritySearch_Mean,AID485290,AUROC,0.5446968161474124,2.0 +WELQRATE,SimilaritySearch_Mean,AID485290,BEDROC,0.06178949705202896,2.0 +WELQRATE,SimilaritySearch_Mean,AID485290,Enrichment factor 1%,1.6927777945028148,2.0 +WELQRATE,SimilaritySearch_Mean,AID485290,Enrichment factor 5%,1.1862086216457313,2.0 +WELQRATE,SimilaritySearch_Mean,AID485290,RIE,1.2102152235747827,2.0 +WELQRATE,SimilaritySearch_Mean,AID485290,AUPRC,0.0025300858211966797,2.0 +WELQRATE,SimilaritySearch_Max,AID485290,AUROC,0.7044417708361967,2.0 +WELQRATE,SimilaritySearch_Max,AID485290,BEDROC,0.23249709841236374,2.0 +WELQRATE,SimilaritySearch_Max,AID485290,Enrichment factor 1%,8.463888972514074,2.0 +WELQRATE,SimilaritySearch_Max,AID485290,Enrichment factor 5%,5.422667984666201,2.0 +WELQRATE,SimilaritySearch_Max,AID485290,RIE,4.5537111349494355,2.0 +WELQRATE,SimilaritySearch_Max,AID485290,AUPRC,0.011015075337892147,2.0 +WELQRATE,LightGBM_Ranker,AID485290,AUROC,0.6751050958617437,2.0 +WELQRATE,LightGBM_Ranker,AID485290,BEDROC,0.2095504104611413,2.0 +WELQRATE,LightGBM_Ranker,AID485290,Enrichment factor 1%,10.156666767016889,2.0 +WELQRATE,LightGBM_Ranker,AID485290,Enrichment factor 5%,4.744834486582925,2.0 +WELQRATE,LightGBM_Ranker,AID485290,RIE,4.10427504227917,2.0 +WELQRATE,LightGBM_Ranker,AID485290,AUPRC,0.021925519080519762,2.0 +WELQRATE,LightGBM_Ranker,AID485290,accuracy,0.5010048195770865,2.0 +WELQRATE,LightGBM_Ranker,AID485290,F1 score,0.006163219042221593,2.0 +WELQRATE,LightGBM_Ranker,AID485290,recall,0.7372881355932204,2.0 +WELQRATE,LightGBM_Ranker,AID485290,precision,0.0030945436437362166,2.0 +WELQRATE,LightGBM_Ranker,AID485290,MCC,0.021764028886592724,2.0 WELQRATE,RandomForest,AID485290,AUROC,0.7485794344339061,3.0 WELQRATE,RandomForest,AID485290,BEDROC,0.38012143777829044,3.0 WELQRATE,RandomForest,AID485290,Enrichment factor 1%,23.047820740538324,3.0 @@ -1953,17 +3126,34 @@ WELQRATE,LogisticRegression,AID485290,F1 score,0.0,3.0 WELQRATE,LogisticRegression,AID485290,recall,0.0,3.0 WELQRATE,LogisticRegression,AID485290,precision,0.0,3.0 WELQRATE,LogisticRegression,AID485290,MCC,0.0,3.0 -WELQRATE,SimilaritySearch,AID485290,AUROC,0.5834958665107153,3.0 -WELQRATE,SimilaritySearch,AID485290,BEDROC,0.06503527568327244,3.0 -WELQRATE,SimilaritySearch,AID485290,Enrichment factor 1%,0.7682606913512775,3.0 -WELQRATE,SimilaritySearch,AID485290,Enrichment factor 5%,1.0767124411861253,3.0 -WELQRATE,SimilaritySearch,AID485290,RIE,1.2710917745694956,3.0 -WELQRATE,SimilaritySearch,AID485290,AUPRC,0.003007657447085344,3.0 -WELQRATE,RandomForest,AID485290,AUROC,0.7627466331876451,4.0 -WELQRATE,RandomForest,AID485290,BEDROC,0.37255993368557133,4.0 +WELQRATE,SimilaritySearch_Mean,AID485290,AUROC,0.5834958665107153,3.0 +WELQRATE,SimilaritySearch_Mean,AID485290,BEDROC,0.06503527568327244,3.0 +WELQRATE,SimilaritySearch_Mean,AID485290,Enrichment factor 1%,0.7682606913512775,3.0 +WELQRATE,SimilaritySearch_Mean,AID485290,Enrichment factor 5%,1.0767124411861253,3.0 +WELQRATE,SimilaritySearch_Mean,AID485290,RIE,1.2710917745694956,3.0 +WELQRATE,SimilaritySearch_Mean,AID485290,AUPRC,0.003007657447085344,3.0 +WELQRATE,SimilaritySearch_Max,AID485290,AUROC,0.7030580553334971,3.0 +WELQRATE,SimilaritySearch_Max,AID485290,BEDROC,0.2382456975057981,3.0 +WELQRATE,SimilaritySearch_Max,AID485290,Enrichment factor 1%,11.523910370269162,3.0 +WELQRATE,SimilaritySearch_Max,AID485290,Enrichment factor 5%,5.383562205930627,3.0 +WELQRATE,SimilaritySearch_Max,AID485290,RIE,4.656428929325841,3.0 +WELQRATE,SimilaritySearch_Max,AID485290,AUPRC,0.012938613387892846,3.0 +WELQRATE,LightGBM_Ranker,AID485290,AUROC,0.6490373474366059,3.0 +WELQRATE,LightGBM_Ranker,AID485290,BEDROC,0.15564480789048646,3.0 +WELQRATE,LightGBM_Ranker,AID485290,Enrichment factor 1%,6.914346222161497,3.0 +WELQRATE,LightGBM_Ranker,AID485290,Enrichment factor 5%,3.076321260531787,3.0 +WELQRATE,LightGBM_Ranker,AID485290,RIE,3.0420234121038017,3.0 +WELQRATE,LightGBM_Ranker,AID485290,AUPRC,0.006187185936086295,3.0 +WELQRATE,LightGBM_Ranker,AID485290,accuracy,0.500987035159793,3.0 +WELQRATE,LightGBM_Ranker,AID485290,F1 score,0.006514888644973976,3.0 +WELQRATE,LightGBM_Ranker,AID485290,recall,0.7076923076923077,3.0 +WELQRATE,LightGBM_Ranker,AID485290,precision,0.003272507380926973,3.0 +WELQRATE,LightGBM_Ranker,AID485290,MCC,0.01999863264541594,3.0 +WELQRATE,RandomForest,AID485290,AUROC,0.7627465607347764,4.0 +WELQRATE,RandomForest,AID485290,BEDROC,0.37255785393999064,4.0 WELQRATE,RandomForest,AID485290,Enrichment factor 1%,22.73551964649309,4.0 WELQRATE,RandomForest,AID485290,Enrichment factor 5%,8.291060958262499,4.0 -WELQRATE,RandomForest,AID485290,RIE,7.290556188159029,4.0 +WELQRATE,RandomForest,AID485290,RIE,7.290515490004036,4.0 WELQRATE,RandomForest,AID485290,AUPRC,0.061258208721934874,4.0 WELQRATE,RandomForest,AID485290,accuracy,0.9977947322555977,4.0 WELQRATE,RandomForest,AID485290,F1 score,0.015873015873015872,4.0 @@ -1981,13 +3171,30 @@ WELQRATE,LogisticRegression,AID485290,F1 score,0.0,4.0 WELQRATE,LogisticRegression,AID485290,recall,0.0,4.0 WELQRATE,LogisticRegression,AID485290,precision,0.0,4.0 WELQRATE,LogisticRegression,AID485290,MCC,0.0,4.0 -WELQRATE,SimilaritySearch,AID485290,AUROC,0.5586861715585394,4.0 -WELQRATE,SimilaritySearch,AID485290,BEDROC,0.08755414723824924,4.0 -WELQRATE,SimilaritySearch,AID485290,Enrichment factor 1%,1.6239656890352208,4.0 -WELQRATE,SimilaritySearch,AID485290,Enrichment factor 5%,1.7882680498213233,4.0 -WELQRATE,SimilaritySearch,AID485290,RIE,1.7133308878434896,4.0 -WELQRATE,SimilaritySearch,AID485290,AUPRC,0.002997562414416389,4.0 -WELQRATE,RandomForest,AID485290,AUROC,0.7371811627051147,5.0 +WELQRATE,SimilaritySearch_Mean,AID485290,AUROC,0.5586861715585394,4.0 +WELQRATE,SimilaritySearch_Mean,AID485290,BEDROC,0.08755414723824924,4.0 +WELQRATE,SimilaritySearch_Mean,AID485290,Enrichment factor 1%,1.6239656890352208,4.0 +WELQRATE,SimilaritySearch_Mean,AID485290,Enrichment factor 5%,1.7882680498213233,4.0 +WELQRATE,SimilaritySearch_Mean,AID485290,RIE,1.7133308878434896,4.0 +WELQRATE,SimilaritySearch_Mean,AID485290,AUPRC,0.002997562414416389,4.0 +WELQRATE,SimilaritySearch_Max,AID485290,AUROC,0.6704335637624369,4.0 +WELQRATE,SimilaritySearch_Max,AID485290,BEDROC,0.22780048873367298,4.0 +WELQRATE,SimilaritySearch_Max,AID485290,Enrichment factor 1%,9.743794134211324,4.0 +WELQRATE,SimilaritySearch_Max,AID485290,Enrichment factor 5%,5.20223432675294,4.0 +WELQRATE,SimilaritySearch_Max,AID485290,RIE,4.45778549634507,4.0 +WELQRATE,SimilaritySearch_Max,AID485290,AUPRC,0.011044650474078248,4.0 +WELQRATE,LightGBM_Ranker,AID485290,AUROC,0.6650096695598546,4.0 +WELQRATE,LightGBM_Ranker,AID485290,BEDROC,0.13357173538603856,4.0 +WELQRATE,LightGBM_Ranker,AID485290,Enrichment factor 1%,4.059914222588052,4.0 +WELQRATE,LightGBM_Ranker,AID485290,Enrichment factor 5%,2.2759775179544115,4.0 +WELQRATE,LightGBM_Ranker,AID485290,RIE,2.6138405233725495,4.0 +WELQRATE,LightGBM_Ranker,AID485290,AUPRC,0.0058595738854959846,4.0 +WELQRATE,LightGBM_Ranker,AID485290,accuracy,0.5011293104981416,4.0 +WELQRATE,LightGBM_Ranker,AID485290,F1 score,0.006375969678721972,4.0 +WELQRATE,LightGBM_Ranker,AID485290,recall,0.7317073170731707,4.0 +WELQRATE,LightGBM_Ranker,AID485290,precision,0.0032019353920592,4.0 +WELQRATE,LightGBM_Ranker,AID485290,MCC,0.021708722804223448,4.0 +WELQRATE,RandomForest,AID485290,AUROC,0.7371811627051148,5.0 WELQRATE,RandomForest,AID485290,BEDROC,0.36794771643689406,5.0 WELQRATE,RandomForest,AID485290,Enrichment factor 1%,25.60868971170925,5.0 WELQRATE,RandomForest,AID485290,Enrichment factor 5%,7.861709888025677,5.0 @@ -2009,18 +3216,35 @@ WELQRATE,LogisticRegression,AID485290,F1 score,0.0,5.0 WELQRATE,LogisticRegression,AID485290,recall,0.0,5.0 WELQRATE,LogisticRegression,AID485290,precision,0.0,5.0 WELQRATE,LogisticRegression,AID485290,MCC,0.0,5.0 -WELQRATE,SimilaritySearch,AID485290,AUROC,0.5703811394305406,5.0 -WELQRATE,SimilaritySearch,AID485290,BEDROC,0.08328558961147264,5.0 -WELQRATE,SimilaritySearch,AID485290,Enrichment factor 1%,1.7072459807806168,5.0 -WELQRATE,SimilaritySearch,AID485290,Enrichment factor 5%,1.367253893569683,5.0 -WELQRATE,SimilaritySearch,AID485290,RIE,1.6315279231037518,5.0 -WELQRATE,SimilaritySearch,AID485290,AUPRC,0.0029382338016406048,5.0 -WELQRATE,RandomForest,AID488997,AUROC,0.635348280705405,1.0 +WELQRATE,SimilaritySearch_Mean,AID485290,AUROC,0.5703811394305406,5.0 +WELQRATE,SimilaritySearch_Mean,AID485290,BEDROC,0.08328558961147264,5.0 +WELQRATE,SimilaritySearch_Mean,AID485290,Enrichment factor 1%,1.7072459807806168,5.0 +WELQRATE,SimilaritySearch_Mean,AID485290,Enrichment factor 5%,1.367253893569683,5.0 +WELQRATE,SimilaritySearch_Mean,AID485290,RIE,1.6315279231037518,5.0 +WELQRATE,SimilaritySearch_Mean,AID485290,AUPRC,0.0029382338016406048,5.0 +WELQRATE,SimilaritySearch_Max,AID485290,AUROC,0.7007763319514817,5.0 +WELQRATE,SimilaritySearch_Max,AID485290,BEDROC,0.22021271170590864,5.0 +WELQRATE,SimilaritySearch_Max,AID485290,Enrichment factor 1%,7.682606913512775,5.0 +WELQRATE,SimilaritySearch_Max,AID485290,Enrichment factor 5%,5.127202100886311,5.0 +WELQRATE,SimilaritySearch_Max,AID485290,RIE,4.3138697112308275,5.0 +WELQRATE,SimilaritySearch_Max,AID485290,AUPRC,0.008165054971394053,5.0 +WELQRATE,LightGBM_Ranker,AID485290,AUROC,0.6424178505016829,5.0 +WELQRATE,LightGBM_Ranker,AID485290,BEDROC,0.12997001650801082,5.0 +WELQRATE,LightGBM_Ranker,AID485290,Enrichment factor 1%,4.268114951951541,5.0 +WELQRATE,LightGBM_Ranker,AID485290,Enrichment factor 5%,2.734507787139366,5.0 +WELQRATE,LightGBM_Ranker,AID485290,RIE,2.546055207427917,5.0 +WELQRATE,LightGBM_Ranker,AID485290,AUPRC,0.021266674296008328,5.0 +WELQRATE,LightGBM_Ranker,AID485290,accuracy,0.5008091909868573,5.0 +WELQRATE,LightGBM_Ranker,AID485290,F1 score,0.005738372710849775,5.0 +WELQRATE,LightGBM_Ranker,AID485290,recall,0.6923076923076923,5.0 +WELQRATE,LightGBM_Ranker,AID485290,precision,0.002881126840719926,5.0 +WELQRATE,LightGBM_Ranker,AID485290,MCC,0.017563529309342372,5.0 +WELQRATE,RandomForest,AID488997,AUROC,0.6353486660462679,1.0 WELQRATE,RandomForest,AID488997,BEDROC,0.3287367358066725,1.0 WELQRATE,RandomForest,AID488997,Enrichment factor 1%,22.189158016147637,1.0 WELQRATE,RandomForest,AID488997,Enrichment factor 5%,6.221575421575422,1.0 WELQRATE,RandomForest,AID488997,RIE,6.523736537019316,1.0 -WELQRATE,RandomForest,AID488997,AUPRC,0.017349361741059603,1.0 +WELQRATE,RandomForest,AID488997,AUPRC,0.017349421326095793,1.0 WELQRATE,RandomForest,AID488997,accuracy,0.9992202931697681,1.0 WELQRATE,RandomForest,AID488997,F1 score,0.0,1.0 WELQRATE,RandomForest,AID488997,recall,0.0,1.0 @@ -2037,12 +3261,29 @@ WELQRATE,LogisticRegression,AID488997,F1 score,0.0,1.0 WELQRATE,LogisticRegression,AID488997,recall,0.0,1.0 WELQRATE,LogisticRegression,AID488997,precision,0.0,1.0 WELQRATE,LogisticRegression,AID488997,MCC,0.0,1.0 -WELQRATE,SimilaritySearch,AID488997,AUROC,0.5978867907078904,1.0 -WELQRATE,SimilaritySearch,AID488997,BEDROC,0.1398943472410875,1.0 -WELQRATE,SimilaritySearch,AID488997,Enrichment factor 1%,6.656747404844291,1.0 -WELQRATE,SimilaritySearch,AID488997,Enrichment factor 5%,3.555185955185955,1.0 -WELQRATE,SimilaritySearch,AID488997,RIE,2.776184626964053,1.0 -WELQRATE,SimilaritySearch,AID488997,AUPRC,0.0016718184678477922,1.0 +WELQRATE,SimilaritySearch_Mean,AID488997,AUROC,0.5978867907078904,1.0 +WELQRATE,SimilaritySearch_Mean,AID488997,BEDROC,0.1398943472410875,1.0 +WELQRATE,SimilaritySearch_Mean,AID488997,Enrichment factor 1%,6.656747404844291,1.0 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+WELQRATE,LightGBM_Ranker,AID488997,RIE,0.4838115105971306,1.0 +WELQRATE,LightGBM_Ranker,AID488997,AUPRC,0.0008809448648056196,1.0 +WELQRATE,LightGBM_Ranker,AID488997,accuracy,0.5002945559136431,1.0 +WELQRATE,LightGBM_Ranker,AID488997,F1 score,0.002145180264341568,1.0 +WELQRATE,LightGBM_Ranker,AID488997,recall,0.6888888888888889,1.0 +WELQRATE,LightGBM_Ranker,AID488997,precision,0.0010742627438749697,1.0 +WELQRATE,LightGBM_Ranker,AID488997,MCC,0.010552891043515353,1.0 WELQRATE,RandomForest,AID488997,AUROC,0.7025274277051939,2.0 WELQRATE,RandomForest,AID488997,BEDROC,0.4092612015264025,2.0 WELQRATE,RandomForest,AID488997,Enrichment factor 1%,35.13283352556709,2.0 @@ -2065,12 +3306,29 @@ WELQRATE,LogisticRegression,AID488997,F1 score,0.0,2.0 WELQRATE,LogisticRegression,AID488997,recall,0.0,2.0 WELQRATE,LogisticRegression,AID488997,precision,0.0,2.0 WELQRATE,LogisticRegression,AID488997,MCC,0.0,2.0 -WELQRATE,SimilaritySearch,AID488997,AUROC,0.5417039220976092,2.0 -WELQRATE,SimilaritySearch,AID488997,BEDROC,0.07619901346596492,2.0 -WELQRATE,SimilaritySearch,AID488997,Enrichment factor 1%,1.8490965013456362,2.0 -WELQRATE,SimilaritySearch,AID488997,Enrichment factor 5%,1.8516593516593516,2.0 -WELQRATE,SimilaritySearch,AID488997,RIE,1.5098097457276833,2.0 -WELQRATE,SimilaritySearch,AID488997,AUPRC,0.0012320555824121525,2.0 +WELQRATE,SimilaritySearch_Mean,AID488997,AUROC,0.5417039220976092,2.0 +WELQRATE,SimilaritySearch_Mean,AID488997,BEDROC,0.07619901346596492,2.0 +WELQRATE,SimilaritySearch_Mean,AID488997,Enrichment factor 1%,1.8490965013456362,2.0 +WELQRATE,SimilaritySearch_Mean,AID488997,Enrichment factor 5%,1.8516593516593516,2.0 +WELQRATE,SimilaritySearch_Mean,AID488997,RIE,1.5098097457276833,2.0 +WELQRATE,SimilaritySearch_Mean,AID488997,AUPRC,0.0012320555824121525,2.0 +WELQRATE,SimilaritySearch_Max,AID488997,AUROC,0.6815091018871803,2.0 +WELQRATE,SimilaritySearch_Max,AID488997,BEDROC,0.17564861224034278,2.0 +WELQRATE,SimilaritySearch_Max,AID488997,Enrichment factor 1%,7.396386005382545,2.0 +WELQRATE,SimilaritySearch_Max,AID488997,Enrichment factor 5%,4.073650573650574,2.0 +WELQRATE,SimilaritySearch_Max,AID488997,RIE,3.4803072951101726,2.0 +WELQRATE,SimilaritySearch_Max,AID488997,AUPRC,0.0034942553210678302,2.0 +WELQRATE,LightGBM_Ranker,AID488997,AUROC,0.586998496936062,2.0 +WELQRATE,LightGBM_Ranker,AID488997,BEDROC,0.10314494878599562,2.0 +WELQRATE,LightGBM_Ranker,AID488997,Enrichment factor 1%,3.6981930026912724,2.0 +WELQRATE,LightGBM_Ranker,AID488997,Enrichment factor 5%,1.8516593516593516,2.0 +WELQRATE,LightGBM_Ranker,AID488997,RIE,2.0437173750022963,2.0 +WELQRATE,LightGBM_Ranker,AID488997,AUPRC,0.0015277398185630283,2.0 +WELQRATE,LightGBM_Ranker,AID488997,accuracy,0.5002252486398447,2.0 +WELQRATE,LightGBM_Ranker,AID488997,F1 score,0.0022139200221392,2.0 +WELQRATE,LightGBM_Ranker,AID488997,recall,0.5925925925925926,2.0 +WELQRATE,LightGBM_Ranker,AID488997,precision,0.0011090316767172663,2.0 +WELQRATE,LightGBM_Ranker,AID488997,MCC,0.005670345779390749,2.0 WELQRATE,RandomForest,AID488997,AUROC,0.7790930271548411,3.0 WELQRATE,RandomForest,AID488997,BEDROC,0.469537537709617,3.0 WELQRATE,RandomForest,AID488997,Enrichment factor 1%,22.77308322709889,3.0 @@ -2093,12 +3351,29 @@ WELQRATE,LogisticRegression,AID488997,F1 score,0.0,3.0 WELQRATE,LogisticRegression,AID488997,recall,0.0,3.0 WELQRATE,LogisticRegression,AID488997,precision,0.0,3.0 WELQRATE,LogisticRegression,AID488997,MCC,0.0,3.0 -WELQRATE,SimilaritySearch,AID488997,AUROC,0.5080656964401395,3.0 -WELQRATE,SimilaritySearch,AID488997,BEDROC,0.04224847157203287,3.0 -WELQRATE,SimilaritySearch,AID488997,Enrichment factor 1%,0.0,3.0 -WELQRATE,SimilaritySearch,AID488997,Enrichment factor 5%,0.7016814385235437,3.0 -WELQRATE,SimilaritySearch,AID488997,RIE,0.8366789887020677,3.0 -WELQRATE,SimilaritySearch,AID488997,AUPRC,0.0010393216691996993,3.0 +WELQRATE,SimilaritySearch_Mean,AID488997,AUROC,0.5080656964401395,3.0 +WELQRATE,SimilaritySearch_Mean,AID488997,BEDROC,0.04224847157203287,3.0 +WELQRATE,SimilaritySearch_Mean,AID488997,Enrichment factor 1%,0.0,3.0 +WELQRATE,SimilaritySearch_Mean,AID488997,Enrichment factor 5%,0.7016814385235437,3.0 +WELQRATE,SimilaritySearch_Mean,AID488997,RIE,0.8366789887020677,3.0 +WELQRATE,SimilaritySearch_Mean,AID488997,AUPRC,0.0010393216691996993,3.0 +WELQRATE,SimilaritySearch_Max,AID488997,AUROC,0.6592927503210911,3.0 +WELQRATE,SimilaritySearch_Max,AID488997,BEDROC,0.20808996467091007,3.0 +WELQRATE,SimilaritySearch_Max,AID488997,Enrichment factor 1%,14.014205062830085,3.0 +WELQRATE,SimilaritySearch_Max,AID488997,Enrichment factor 5%,4.560929350403034,3.0 +WELQRATE,SimilaritySearch_Max,AID488997,RIE,4.12096551229313,3.0 +WELQRATE,SimilaritySearch_Max,AID488997,AUPRC,0.004972921037159333,3.0 +WELQRATE,LightGBM_Ranker,AID488997,AUROC,0.4954631883835714,3.0 +WELQRATE,LightGBM_Ranker,AID488997,BEDROC,0.04465532973734612,3.0 +WELQRATE,LightGBM_Ranker,AID488997,Enrichment factor 1%,0.0,3.0 +WELQRATE,LightGBM_Ranker,AID488997,Enrichment factor 5%,0.7016814385235437,3.0 +WELQRATE,LightGBM_Ranker,AID488997,RIE,0.8843438504253064,3.0 +WELQRATE,LightGBM_Ranker,AID488997,AUPRC,0.0010691544022042726,3.0 +WELQRATE,LightGBM_Ranker,AID488997,accuracy,0.5002425754582943,3.0 +WELQRATE,LightGBM_Ranker,AID488997,F1 score,0.002352045934073536,3.0 +WELQRATE,LightGBM_Ranker,AID488997,recall,0.5964912280701754,3.0 +WELQRATE,LightGBM_Ranker,AID488997,precision,0.0011783461565120954,3.0 +WELQRATE,LightGBM_Ranker,AID488997,MCC,0.0060710405438189905,3.0 WELQRATE,RandomForest,AID488997,AUROC,0.7404588690114496,4.0 WELQRATE,RandomForest,AID488997,BEDROC,0.42136533476348714,4.0 WELQRATE,RandomForest,AID488997,Enrichment factor 1%,25.823589070516647,4.0 @@ -2121,12 +3396,29 @@ WELQRATE,LogisticRegression,AID488997,F1 score,0.0,4.0 WELQRATE,LogisticRegression,AID488997,recall,0.0,4.0 WELQRATE,LogisticRegression,AID488997,precision,0.0,4.0 WELQRATE,LogisticRegression,AID488997,MCC,0.0,4.0 -WELQRATE,SimilaritySearch,AID488997,AUROC,0.5420180870609513,4.0 -WELQRATE,SimilaritySearch,AID488997,BEDROC,0.08571614574139316,4.0 -WELQRATE,SimilaritySearch,AID488997,Enrichment factor 1%,3.443145209402219,4.0 -WELQRATE,SimilaritySearch,AID488997,Enrichment factor 5%,2.068750448060793,4.0 -WELQRATE,SimilaritySearch,AID488997,RIE,1.6972096205391585,4.0 -WELQRATE,SimilaritySearch,AID488997,AUPRC,0.0014209813162792207,4.0 +WELQRATE,SimilaritySearch_Mean,AID488997,AUROC,0.5420180870609513,4.0 +WELQRATE,SimilaritySearch_Mean,AID488997,BEDROC,0.08571614574139316,4.0 +WELQRATE,SimilaritySearch_Mean,AID488997,Enrichment factor 1%,3.443145209402219,4.0 +WELQRATE,SimilaritySearch_Mean,AID488997,Enrichment factor 5%,2.068750448060793,4.0 +WELQRATE,SimilaritySearch_Mean,AID488997,RIE,1.6972096205391585,4.0 +WELQRATE,SimilaritySearch_Mean,AID488997,AUPRC,0.0014209813162792207,4.0 +WELQRATE,SimilaritySearch_Max,AID488997,AUROC,0.6654312378291221,4.0 +WELQRATE,SimilaritySearch_Max,AID488997,BEDROC,0.1507079507971243,4.0 +WELQRATE,SimilaritySearch_Max,AID488997,Enrichment factor 1%,10.329435628206658,4.0 +WELQRATE,SimilaritySearch_Max,AID488997,Enrichment factor 5%,3.1031256720911893,4.0 +WELQRATE,SimilaritySearch_Max,AID488997,RIE,2.984070026317502,4.0 +WELQRATE,SimilaritySearch_Max,AID488997,AUPRC,0.01957956639058808,4.0 +WELQRATE,LightGBM_Ranker,AID488997,AUROC,0.5422644950072487,4.0 +WELQRATE,LightGBM_Ranker,AID488997,BEDROC,0.09119259154104926,4.0 +WELQRATE,LightGBM_Ranker,AID488997,Enrichment factor 1%,1.7215726047011095,4.0 +WELQRATE,LightGBM_Ranker,AID488997,Enrichment factor 5%,2.4135421894042586,4.0 +WELQRATE,LightGBM_Ranker,AID488997,RIE,1.8056451572645242,4.0 +WELQRATE,LightGBM_Ranker,AID488997,AUPRC,0.0013811542997396063,4.0 +WELQRATE,LightGBM_Ranker,AID488997,accuracy,0.5002425754582943,4.0 +WELQRATE,LightGBM_Ranker,AID488997,F1 score,0.002490057063807712,4.0 +WELQRATE,LightGBM_Ranker,AID488997,recall,0.6206896551724138,4.0 +WELQRATE,LightGBM_Ranker,AID488997,precision,0.0012475309283709326,4.0 +WELQRATE,LightGBM_Ranker,AID488997,MCC,0.007655821241158336,4.0 WELQRATE,RandomForest,AID488997,AUROC,0.6990383630911097,5.0 WELQRATE,RandomForest,AID488997,BEDROC,0.3773060247877533,5.0 WELQRATE,RandomForest,AID488997,Enrichment factor 1%,19.019278299555115,5.0 @@ -2149,12 +3441,29 @@ WELQRATE,LogisticRegression,AID488997,F1 score,0.0,5.0 WELQRATE,LogisticRegression,AID488997,recall,0.0,5.0 WELQRATE,LogisticRegression,AID488997,precision,0.0,5.0 WELQRATE,LogisticRegression,AID488997,MCC,0.0,5.0 -WELQRATE,SimilaritySearch,AID488997,AUROC,0.5253525272642001,5.0 -WELQRATE,SimilaritySearch,AID488997,BEDROC,0.1349820768493607,5.0 -WELQRATE,SimilaritySearch,AID488997,Enrichment factor 1%,4.754819574888779,5.0 -WELQRATE,SimilaritySearch,AID488997,Enrichment factor 5%,3.3329868329868333,5.0 -WELQRATE,SimilaritySearch,AID488997,RIE,2.6800905419038306,5.0 -WELQRATE,SimilaritySearch,AID488997,AUPRC,0.0013763749239926407,5.0 +WELQRATE,SimilaritySearch_Mean,AID488997,AUROC,0.5253525272642001,5.0 +WELQRATE,SimilaritySearch_Mean,AID488997,BEDROC,0.1349820768493607,5.0 +WELQRATE,SimilaritySearch_Mean,AID488997,Enrichment factor 1%,4.754819574888779,5.0 +WELQRATE,SimilaritySearch_Mean,AID488997,Enrichment factor 5%,3.3329868329868333,5.0 +WELQRATE,SimilaritySearch_Mean,AID488997,RIE,2.6800905419038306,5.0 +WELQRATE,SimilaritySearch_Mean,AID488997,AUPRC,0.0013763749239926407,5.0 +WELQRATE,SimilaritySearch_Max,AID488997,AUROC,0.6440828759024765,5.0 +WELQRATE,SimilaritySearch_Max,AID488997,BEDROC,0.19123891169110818,5.0 +WELQRATE,SimilaritySearch_Max,AID488997,Enrichment factor 1%,11.887048937221948,5.0 +WELQRATE,SimilaritySearch_Max,AID488997,Enrichment factor 5%,4.285268785268785,5.0 +WELQRATE,SimilaritySearch_Max,AID488997,RIE,3.79707890184022,5.0 +WELQRATE,SimilaritySearch_Max,AID488997,AUPRC,0.012483884850027157,5.0 +WELQRATE,LightGBM_Ranker,AID488997,AUROC,0.6297349047817213,5.0 +WELQRATE,LightGBM_Ranker,AID488997,BEDROC,0.09527116669240913,5.0 +WELQRATE,LightGBM_Ranker,AID488997,Enrichment factor 1%,0.0,5.0 +WELQRATE,LightGBM_Ranker,AID488997,Enrichment factor 5%,1.9045639045639045,5.0 +WELQRATE,LightGBM_Ranker,AID488997,RIE,1.8916241354205758,5.0 +WELQRATE,LightGBM_Ranker,AID488997,AUPRC,0.00129649531538643,5.0 +WELQRATE,LightGBM_Ranker,AID488997,accuracy,0.5003118827320927,5.0 +WELQRATE,LightGBM_Ranker,AID488997,F1 score,0.002076196408180214,5.0 +WELQRATE,LightGBM_Ranker,AID488997,recall,0.7142857142857143,5.0 +WELQRATE,LightGBM_Ranker,AID488997,precision,0.0010396091069757771,5.0 +WELQRATE,LightGBM_Ranker,AID488997,MCC,0.011565525051480624,5.0 DUD-AD,RandomForest,abl1,AUROC,0.932854482575153, DUD-AD,RandomForest,abl1,BEDROC,0.7291614968061261, DUD-AD,RandomForest,abl1,Enrichment factor 1%,26.625641025641027, @@ -2177,12 +3486,29 @@ DUD-AD,LogisticRegression,abl1,F1 score,0.2857142857142857, DUD-AD,LogisticRegression,abl1,recall,0.17777777777777778, DUD-AD,LogisticRegression,abl1,precision,0.7272727272727273, DUD-AD,LogisticRegression,abl1,MCC,0.3500136394991378, -DUD-AD,SimilaritySearch,abl1,AUROC,0.7112707280305046, -DUD-AD,SimilaritySearch,abl1,BEDROC,0.1813528468371237, -DUD-AD,SimilaritySearch,abl1,Enrichment factor 1%,6.656410256410257, -DUD-AD,SimilaritySearch,abl1,Enrichment factor 5%,3.1063247863247865, -DUD-AD,SimilaritySearch,abl1,RIE,2.616105397267984, -DUD-AD,SimilaritySearch,abl1,AUPRC,0.08712761493313408, +DUD-AD,SimilaritySearch_Mean,abl1,AUROC,0.7112707280305046, +DUD-AD,SimilaritySearch_Mean,abl1,BEDROC,0.1813528468371237, +DUD-AD,SimilaritySearch_Mean,abl1,Enrichment factor 1%,6.656410256410257, +DUD-AD,SimilaritySearch_Mean,abl1,Enrichment factor 5%,3.1063247863247865, +DUD-AD,SimilaritySearch_Mean,abl1,RIE,2.616105397267984, +DUD-AD,SimilaritySearch_Mean,abl1,AUPRC,0.08712761493313408, +DUD-AD,SimilaritySearch_Max,abl1,AUROC,0.8527533918595371, +DUD-AD,SimilaritySearch_Max,abl1,BEDROC,0.5256780314754621, +DUD-AD,SimilaritySearch_Max,abl1,Enrichment factor 1%,13.312820512820513, +DUD-AD,SimilaritySearch_Max,abl1,Enrichment factor 5%,9.31897435897436, +DUD-AD,SimilaritySearch_Max,abl1,RIE,7.583168055381408, +DUD-AD,SimilaritySearch_Max,abl1,AUPRC,0.30596379117109523, +DUD-AD,LightGBM_Ranker,abl1,AUROC,0.7496851999645298, +DUD-AD,LightGBM_Ranker,abl1,BEDROC,0.2949107500099801, +DUD-AD,LightGBM_Ranker,abl1,Enrichment factor 1%,15.531623931623932, +DUD-AD,LightGBM_Ranker,abl1,Enrichment factor 5%,4.881367521367522, +DUD-AD,LightGBM_Ranker,abl1,RIE,4.254234832894378, +DUD-AD,LightGBM_Ranker,abl1,AUPRC,0.23028159889454936, +DUD-AD,LightGBM_Ranker,abl1,accuracy,0.5238828967642527, +DUD-AD,LightGBM_Ranker,abl1,F1 score,0.10951008645533142, +DUD-AD,LightGBM_Ranker,abl1,recall,0.8444444444444444, +DUD-AD,LightGBM_Ranker,abl1,precision,0.05855161787365177, +DUD-AD,LightGBM_Ranker,abl1,MCC,0.13055090941302508, DUD-AD,RandomForest,aces,AUROC,0.953807651394271, DUD-AD,RandomForest,aces,BEDROC,0.8991060627587374, DUD-AD,RandomForest,aces,Enrichment factor 1%,16.658536585365855, @@ -2205,12 +3531,29 @@ DUD-AD,LogisticRegression,aces,F1 score,0.7272727272727273, DUD-AD,LogisticRegression,aces,recall,0.6341463414634146, DUD-AD,LogisticRegression,aces,precision,0.8524590163934426, DUD-AD,LogisticRegression,aces,MCC,0.7212431240870033, -DUD-AD,SimilaritySearch,aces,AUROC,0.5849764455588482, -DUD-AD,SimilaritySearch,aces,BEDROC,0.2681688789079353, -DUD-AD,SimilaritySearch,aces,Enrichment factor 1%,7.139372822299652, -DUD-AD,SimilaritySearch,aces,Enrichment factor 5%,3.3799929303640863, -DUD-AD,SimilaritySearch,aces,RIE,3.1225636950745868, -DUD-AD,SimilaritySearch,aces,AUPRC,0.1642930041051032, +DUD-AD,SimilaritySearch_Mean,aces,AUROC,0.5849764455588482, +DUD-AD,SimilaritySearch_Mean,aces,BEDROC,0.2681688789079353, +DUD-AD,SimilaritySearch_Mean,aces,Enrichment factor 1%,7.139372822299652, +DUD-AD,SimilaritySearch_Mean,aces,Enrichment factor 5%,3.3799929303640863, +DUD-AD,SimilaritySearch_Mean,aces,RIE,3.1225636950745868, +DUD-AD,SimilaritySearch_Mean,aces,AUPRC,0.1642930041051032, +DUD-AD,SimilaritySearch_Max,aces,AUROC,0.811084833979181, +DUD-AD,SimilaritySearch_Max,aces,BEDROC,0.732667535973815, +DUD-AD,SimilaritySearch_Max,aces,Enrichment factor 1%,16.658536585365855, +DUD-AD,SimilaritySearch_Max,aces,Enrichment factor 5%,10.864262990455991, +DUD-AD,SimilaritySearch_Max,aces,RIE,8.531195046471433, +DUD-AD,SimilaritySearch_Max,aces,AUPRC,0.6335242975057231, +DUD-AD,LightGBM_Ranker,aces,AUROC,0.6711448598130841, +DUD-AD,LightGBM_Ranker,aces,BEDROC,0.21921112760325967, +DUD-AD,LightGBM_Ranker,aces,Enrichment factor 1%,5.949477351916376, +DUD-AD,LightGBM_Ranker,aces,Enrichment factor 5%,1.6899964651820432, +DUD-AD,LightGBM_Ranker,aces,RIE,2.552498691500631, +DUD-AD,LightGBM_Ranker,aces,AUPRC,0.16074701867402358, +DUD-AD,LightGBM_Ranker,aces,accuracy,0.527818448023426, +DUD-AD,LightGBM_Ranker,aces,F1 score,0.1568627450980392, +DUD-AD,LightGBM_Ranker,aces,recall,0.7317073170731707, +DUD-AD,LightGBM_Ranker,aces,precision,0.08784773060029283, +DUD-AD,LightGBM_Ranker,aces,MCC,0.11711004788598398, DUD-AD,RandomForest,adrb1,AUROC,0.9600351881083925, DUD-AD,RandomForest,adrb1,BEDROC,0.817303999986203, DUD-AD,RandomForest,adrb1,Enrichment factor 1%,23.482142857142858, @@ -2233,12 +3576,29 @@ DUD-AD,LogisticRegression,adrb1,F1 score,0.7032967032967034, DUD-AD,LogisticRegression,adrb1,recall,0.6666666666666666, DUD-AD,LogisticRegression,adrb1,precision,0.7441860465116279, DUD-AD,LogisticRegression,adrb1,MCC,0.6938202399346646, -DUD-AD,SimilaritySearch,adrb1,AUROC,0.7974875032886083, -DUD-AD,SimilaritySearch,adrb1,BEDROC,0.48145831483266216, -DUD-AD,SimilaritySearch,adrb1,Enrichment factor 1%,17.611607142857142, -DUD-AD,SimilaritySearch,adrb1,Enrichment factor 5%,8.301767676767676, -DUD-AD,SimilaritySearch,adrb1,RIE,6.833837150396861, -DUD-AD,SimilaritySearch,adrb1,AUPRC,0.3298075800389488, +DUD-AD,SimilaritySearch_Mean,adrb1,AUROC,0.7974875032886083, +DUD-AD,SimilaritySearch_Mean,adrb1,BEDROC,0.48145831483266216, +DUD-AD,SimilaritySearch_Mean,adrb1,Enrichment factor 1%,17.611607142857142, +DUD-AD,SimilaritySearch_Mean,adrb1,Enrichment factor 5%,8.301767676767676, +DUD-AD,SimilaritySearch_Mean,adrb1,RIE,6.833837150396861, +DUD-AD,SimilaritySearch_Mean,adrb1,AUPRC,0.3298075800389488, +DUD-AD,SimilaritySearch_Max,adrb1,AUROC,0.8637036306235201, +DUD-AD,SimilaritySearch_Max,adrb1,BEDROC,0.7342630207610413, +DUD-AD,SimilaritySearch_Max,adrb1,Enrichment factor 1%,19.568452380952383, +DUD-AD,SimilaritySearch_Max,adrb1,Enrichment factor 5%,14.11300505050505, +DUD-AD,SimilaritySearch_Max,adrb1,RIE,10.42215647648625, +DUD-AD,SimilaritySearch_Max,adrb1,AUPRC,0.5548663233341977, +DUD-AD,LightGBM_Ranker,adrb1,AUROC,0.85554788213628, +DUD-AD,LightGBM_Ranker,adrb1,BEDROC,0.5909386080329869, +DUD-AD,LightGBM_Ranker,adrb1,Enrichment factor 1%,15.654761904761905, +DUD-AD,LightGBM_Ranker,adrb1,Enrichment factor 5%,9.547032828282829, +DUD-AD,LightGBM_Ranker,adrb1,RIE,8.38780447261892, +DUD-AD,LightGBM_Ranker,adrb1,AUPRC,0.4018283845524146, +DUD-AD,LightGBM_Ranker,adrb1,accuracy,0.526235741444867, +DUD-AD,LightGBM_Ranker,adrb1,F1 score,0.11631205673758865, +DUD-AD,LightGBM_Ranker,adrb1,recall,0.8541666666666666, +DUD-AD,LightGBM_Ranker,adrb1,precision,0.0624048706240487, +DUD-AD,LightGBM_Ranker,adrb1,MCC,0.1380181235460228, DUD-AD,RandomForest,adrb2,AUROC,0.9628983606557376, DUD-AD,RandomForest,adrb2,BEDROC,0.8720122416269823, DUD-AD,RandomForest,adrb2,Enrichment factor 1%,19.956674473067917, @@ -2261,13 +3621,30 @@ DUD-AD,LogisticRegression,adrb2,F1 score,0.7128712871287128, DUD-AD,LogisticRegression,adrb2,recall,0.5901639344262295, DUD-AD,LogisticRegression,adrb2,precision,0.9, DUD-AD,LogisticRegression,adrb2,MCC,0.718833933274354, -DUD-AD,SimilaritySearch,adrb2,AUROC,0.8145573770491803, -DUD-AD,SimilaritySearch,adrb2,BEDROC,0.5631080957497738, -DUD-AD,SimilaritySearch,adrb2,Enrichment factor 1%,18.421545667447308, -DUD-AD,SimilaritySearch,adrb2,Enrichment factor 5%,8.466467958271238, -DUD-AD,SimilaritySearch,adrb2,RIE,7.330040926305944, -DUD-AD,SimilaritySearch,adrb2,AUPRC,0.4503823532844396, -DUD-AD,RandomForest,akt1,AUROC,0.942118249976274, +DUD-AD,SimilaritySearch_Mean,adrb2,AUROC,0.8145573770491803, +DUD-AD,SimilaritySearch_Mean,adrb2,BEDROC,0.5631080957497738, +DUD-AD,SimilaritySearch_Mean,adrb2,Enrichment factor 1%,18.421545667447308, +DUD-AD,SimilaritySearch_Mean,adrb2,Enrichment factor 5%,8.466467958271238, +DUD-AD,SimilaritySearch_Mean,adrb2,RIE,7.330040926305944, +DUD-AD,SimilaritySearch_Mean,adrb2,AUPRC,0.4503823532844396, +DUD-AD,SimilaritySearch_Max,adrb2,AUROC,0.873160655737705, +DUD-AD,SimilaritySearch_Max,adrb2,BEDROC,0.7744868690040406, +DUD-AD,SimilaritySearch_Max,adrb2,Enrichment factor 1%,18.421545667447308, +DUD-AD,SimilaritySearch_Max,adrb2,Enrichment factor 5%,14.327868852459016, +DUD-AD,SimilaritySearch_Max,adrb2,RIE,10.081581982487272, +DUD-AD,SimilaritySearch_Max,adrb2,AUPRC,0.6501023573592046, +DUD-AD,LightGBM_Ranker,adrb2,AUROC,0.8904590163934426, +DUD-AD,LightGBM_Ranker,adrb2,BEDROC,0.6874562514833555, +DUD-AD,LightGBM_Ranker,adrb2,Enrichment factor 1%,19.956674473067917, +DUD-AD,LightGBM_Ranker,adrb2,Enrichment factor 5%,11.071535022354695, +DUD-AD,LightGBM_Ranker,adrb2,RIE,8.948694731954678, +DUD-AD,LightGBM_Ranker,adrb2,AUPRC,0.5536253382305538, +DUD-AD,LightGBM_Ranker,adrb2,accuracy,0.5392829900839055, +DUD-AD,LightGBM_Ranker,adrb2,F1 score,0.1564245810055866, +DUD-AD,LightGBM_Ranker,adrb2,recall,0.9180327868852459, +DUD-AD,LightGBM_Ranker,adrb2,precision,0.08549618320610687, +DUD-AD,LightGBM_Ranker,adrb2,MCC,0.1848614785433285, +DUD-AD,RandomForest,akt1,AUROC,0.9421182499762741, DUD-AD,RandomForest,akt1,BEDROC,0.828191432673979, DUD-AD,RandomForest,akt1,Enrichment factor 1%,32.34146341463415, DUD-AD,RandomForest,akt1,Enrichment factor 5%,15.92937750273025, @@ -2289,13 +3666,30 @@ DUD-AD,LogisticRegression,akt1,F1 score,0.6268656716417911, DUD-AD,LogisticRegression,akt1,recall,0.5121951219512195, DUD-AD,LogisticRegression,akt1,precision,0.8076923076923077, DUD-AD,LogisticRegression,akt1,MCC,0.6346126580646162, -DUD-AD,SimilaritySearch,akt1,AUROC,0.742602258707412, -DUD-AD,SimilaritySearch,akt1,BEDROC,0.30473513841090305, -DUD-AD,SimilaritySearch,akt1,Enrichment factor 1%,13.86062717770035, -DUD-AD,SimilaritySearch,akt1,Enrichment factor 5%,4.82708409173644, -DUD-AD,SimilaritySearch,akt1,RIE,4.545342571556263, -DUD-AD,SimilaritySearch,akt1,AUPRC,0.1773586744689443, -DUD-AD,RandomForest,akt2,AUROC,0.9892944711123389, +DUD-AD,SimilaritySearch_Mean,akt1,AUROC,0.742602258707412, +DUD-AD,SimilaritySearch_Mean,akt1,BEDROC,0.30473513841090305, +DUD-AD,SimilaritySearch_Mean,akt1,Enrichment factor 1%,13.86062717770035, +DUD-AD,SimilaritySearch_Mean,akt1,Enrichment factor 5%,4.82708409173644, +DUD-AD,SimilaritySearch_Mean,akt1,RIE,4.545342571556263, +DUD-AD,SimilaritySearch_Mean,akt1,AUPRC,0.1773586744689443, +DUD-AD,SimilaritySearch_Max,akt1,AUROC,0.895957103539907, +DUD-AD,SimilaritySearch_Max,akt1,BEDROC,0.792288894142766, +DUD-AD,SimilaritySearch_Max,akt1,Enrichment factor 1%,27.7212543554007, +DUD-AD,SimilaritySearch_Max,akt1,Enrichment factor 5%,14.963960684382963, +DUD-AD,SimilaritySearch_Max,akt1,RIE,11.817555502389236, +DUD-AD,SimilaritySearch_Max,akt1,AUPRC,0.656405416679638, +DUD-AD,LightGBM_Ranker,akt1,AUROC,0.6716427825756857, +DUD-AD,LightGBM_Ranker,akt1,BEDROC,0.24906234115102263, +DUD-AD,LightGBM_Ranker,akt1,Enrichment factor 1%,6.930313588850175, +DUD-AD,LightGBM_Ranker,akt1,Enrichment factor 5%,4.344375682562796, +DUD-AD,LightGBM_Ranker,akt1,RIE,3.714942987163346, +DUD-AD,LightGBM_Ranker,akt1,AUPRC,0.09805290976723159, +DUD-AD,LightGBM_Ranker,akt1,accuracy,0.5067873303167421, +DUD-AD,LightGBM_Ranker,akt1,F1 score,0.07102272727272728, +DUD-AD,LightGBM_Ranker,akt1,recall,0.6097560975609756, +DUD-AD,LightGBM_Ranker,akt1,precision,0.03770739064856712, +DUD-AD,LightGBM_Ranker,akt1,MCC,0.03921019636406591, +DUD-AD,RandomForest,akt2,AUROC,0.989294471112339, DUD-AD,RandomForest,akt2,BEDROC,0.8811420554505968, DUD-AD,RandomForest,akt2,Enrichment factor 1%,51.451505016722415, DUD-AD,RandomForest,akt2,Enrichment factor 5%,17.150501672240804, @@ -2317,12 +3711,29 @@ DUD-AD,LogisticRegression,akt2,F1 score,0.5714285714285714, DUD-AD,LogisticRegression,akt2,recall,0.43478260869565216, DUD-AD,LogisticRegression,akt2,precision,0.8333333333333334, DUD-AD,LogisticRegression,akt2,MCC,0.5971270960647752, -DUD-AD,SimilaritySearch,akt2,AUROC,0.8443554235590703, -DUD-AD,SimilaritySearch,akt2,BEDROC,0.3530952677350572, -DUD-AD,SimilaritySearch,akt2,Enrichment factor 1%,12.862876254180604, -DUD-AD,SimilaritySearch,akt2,Enrichment factor 5%,6.860200668896321, -DUD-AD,SimilaritySearch,akt2,RIE,5.933809818410188, -DUD-AD,SimilaritySearch,akt2,AUPRC,0.13321087349641952, +DUD-AD,SimilaritySearch_Mean,akt2,AUROC,0.8443554235590703, +DUD-AD,SimilaritySearch_Mean,akt2,BEDROC,0.3530952677350572, +DUD-AD,SimilaritySearch_Mean,akt2,Enrichment factor 1%,12.862876254180604, +DUD-AD,SimilaritySearch_Mean,akt2,Enrichment factor 5%,6.860200668896321, +DUD-AD,SimilaritySearch_Mean,akt2,RIE,5.933809818410188, +DUD-AD,SimilaritySearch_Mean,akt2,AUPRC,0.13321087349641952, +DUD-AD,SimilaritySearch_Max,akt2,AUROC,0.939548295748869, +DUD-AD,SimilaritySearch_Max,akt2,BEDROC,0.8064153522886629, +DUD-AD,SimilaritySearch_Max,akt2,Enrichment factor 1%,47.163879598662206, +DUD-AD,SimilaritySearch_Max,akt2,Enrichment factor 5%,15.435451505016722, +DUD-AD,SimilaritySearch_Max,akt2,RIE,13.55191006478762, +DUD-AD,SimilaritySearch_Max,akt2,AUPRC,0.6935364975102895, +DUD-AD,LightGBM_Ranker,akt2,AUROC,0.856856718582726, +DUD-AD,LightGBM_Ranker,akt2,BEDROC,0.6008596906430262, +DUD-AD,LightGBM_Ranker,akt2,Enrichment factor 1%,30.013377926421402, +DUD-AD,LightGBM_Ranker,akt2,Enrichment factor 5%,12.005351170568563, +DUD-AD,LightGBM_Ranker,akt2,RIE,10.097521675689617, +DUD-AD,LightGBM_Ranker,akt2,AUPRC,0.45580089696175063, +DUD-AD,LightGBM_Ranker,akt2,accuracy,0.514820592823713, +DUD-AD,LightGBM_Ranker,akt2,F1 score,0.06325301204819277, +DUD-AD,LightGBM_Ranker,akt2,recall,0.9130434782608695, +DUD-AD,LightGBM_Ranker,akt2,precision,0.0327613104524181, +DUD-AD,LightGBM_Ranker,akt2,MCC,0.11165465086373258, DUD-AD,RandomForest,aldr,AUROC,0.9550378106985682, DUD-AD,RandomForest,aldr,BEDROC,0.8549874356775631, DUD-AD,RandomForest,aldr,Enrichment factor 1%,24.865384615384617, @@ -2345,12 +3756,29 @@ DUD-AD,LogisticRegression,aldr,F1 score,0.6829268292682927, DUD-AD,LogisticRegression,aldr,recall,0.5384615384615384, DUD-AD,LogisticRegression,aldr,precision,0.9333333333333333, DUD-AD,LogisticRegression,aldr,MCC,0.7006129568553143, -DUD-AD,SimilaritySearch,aldr,AUROC,0.572196739602058, -DUD-AD,SimilaritySearch,aldr,BEDROC,0.22190684024415858, -DUD-AD,SimilaritySearch,aldr,Enrichment factor 1%,7.650887573964497, -DUD-AD,SimilaritySearch,aldr,Enrichment factor 5%,3.060355029585799, -DUD-AD,SimilaritySearch,aldr,RIE,3.0492068001236436, -DUD-AD,SimilaritySearch,aldr,AUPRC,0.147547403258446, +DUD-AD,SimilaritySearch_Mean,aldr,AUROC,0.572196739602058, +DUD-AD,SimilaritySearch_Mean,aldr,BEDROC,0.22190684024415858, +DUD-AD,SimilaritySearch_Mean,aldr,Enrichment factor 1%,7.650887573964497, +DUD-AD,SimilaritySearch_Mean,aldr,Enrichment factor 5%,3.060355029585799, +DUD-AD,SimilaritySearch_Mean,aldr,RIE,3.0492068001236436, +DUD-AD,SimilaritySearch_Mean,aldr,AUPRC,0.147547403258446, +DUD-AD,SimilaritySearch_Max,aldr,AUROC,0.8695453418459059, +DUD-AD,SimilaritySearch_Max,aldr,BEDROC,0.716109622833244, +DUD-AD,SimilaritySearch_Max,aldr,Enrichment factor 1%,24.865384615384617, +DUD-AD,SimilaritySearch_Max,aldr,Enrichment factor 5%,12.241420118343196, +DUD-AD,SimilaritySearch_Max,aldr,RIE,9.840013484436577, +DUD-AD,SimilaritySearch_Max,aldr,AUPRC,0.6129427622922339, +DUD-AD,LightGBM_Ranker,aldr,AUROC,0.8476724725717473, +DUD-AD,LightGBM_Ranker,aldr,BEDROC,0.4207171319460301, +DUD-AD,LightGBM_Ranker,aldr,Enrichment factor 1%,22.95266272189349, +DUD-AD,LightGBM_Ranker,aldr,Enrichment factor 5%,5.355621301775148, +DUD-AD,LightGBM_Ranker,aldr,RIE,5.781045440785094, +DUD-AD,LightGBM_Ranker,aldr,AUPRC,0.3545333526305378, +DUD-AD,LightGBM_Ranker,aldr,accuracy,0.5359628770301624, +DUD-AD,LightGBM_Ranker,aldr,F1 score,0.14040114613180515, +DUD-AD,LightGBM_Ranker,aldr,recall,0.9423076923076923, +DUD-AD,LightGBM_Ranker,aldr,precision,0.07585139318885449, +DUD-AD,LightGBM_Ranker,aldr,MCC,0.18123827709288765, DUD-AD,RandomForest,ampc,AUROC,0.9861699795381468, DUD-AD,RandomForest,ampc,BEDROC,0.861300060233765, DUD-AD,RandomForest,ampc,Enrichment factor 1%,44.26573426573427, @@ -2373,12 +3801,29 @@ DUD-AD,LogisticRegression,ampc,F1 score,0.5161290322580645, DUD-AD,LogisticRegression,ampc,recall,0.36363636363636365, DUD-AD,LogisticRegression,ampc,precision,0.8888888888888888, DUD-AD,LogisticRegression,ampc,MCC,0.5643373887964347, -DUD-AD,SimilaritySearch,ampc,AUROC,0.6630371236480561, -DUD-AD,SimilaritySearch,ampc,BEDROC,0.46091668346900044, -DUD-AD,SimilaritySearch,ampc,Enrichment factor 1%,22.132867132867133, -DUD-AD,SimilaritySearch,ampc,Enrichment factor 5%,9.890625, -DUD-AD,SimilaritySearch,ampc,RIE,7.786929056965548, -DUD-AD,SimilaritySearch,ampc,AUPRC,0.313023297236462, +DUD-AD,SimilaritySearch_Mean,ampc,AUROC,0.6630371236480561, +DUD-AD,SimilaritySearch_Mean,ampc,BEDROC,0.46091668346900044, +DUD-AD,SimilaritySearch_Mean,ampc,Enrichment factor 1%,22.132867132867133, +DUD-AD,SimilaritySearch_Mean,ampc,Enrichment factor 5%,9.890625, +DUD-AD,SimilaritySearch_Mean,ampc,RIE,7.786929056965548, +DUD-AD,SimilaritySearch_Mean,ampc,AUPRC,0.313023297236462, +DUD-AD,SimilaritySearch_Max,ampc,AUROC,0.6544687225957323, +DUD-AD,SimilaritySearch_Max,ampc,BEDROC,0.505851090663512, +DUD-AD,SimilaritySearch_Max,ampc,Enrichment factor 1%,35.41258741258741, +DUD-AD,SimilaritySearch_Max,ampc,Enrichment factor 5%,9.890625, +DUD-AD,SimilaritySearch_Max,ampc,RIE,8.546070679247487, +DUD-AD,SimilaritySearch_Max,ampc,AUPRC,0.40059862212761904, +DUD-AD,LightGBM_Ranker,ampc,AUROC,0.9850555393159895, +DUD-AD,LightGBM_Ranker,ampc,BEDROC,0.8580453382260589, +DUD-AD,LightGBM_Ranker,ampc,Enrichment factor 1%,48.69230769230769, +DUD-AD,LightGBM_Ranker,ampc,Enrichment factor 5%,17.083806818181817, +DUD-AD,LightGBM_Ranker,ampc,RIE,14.49619507491674, +DUD-AD,LightGBM_Ranker,ampc,AUPRC,0.7165857784510972, +DUD-AD,LightGBM_Ranker,ampc,accuracy,0.5181674565560821, +DUD-AD,LightGBM_Ranker,ampc,F1 score,0.0672782874617737, +DUD-AD,LightGBM_Ranker,ampc,recall,1.0, +DUD-AD,LightGBM_Ranker,ampc,precision,0.03481012658227848, +DUD-AD,LightGBM_Ranker,ampc,MCC,0.1331947907898077, DUD-AD,RandomForest,andr,AUROC,0.9506729979218017, DUD-AD,RandomForest,andr,BEDROC,0.8052953683914076, DUD-AD,RandomForest,andr,Enrichment factor 1%,17.142857142857142, @@ -2401,12 +3846,29 @@ DUD-AD,LogisticRegression,andr,F1 score,0.6440677966101694, DUD-AD,LogisticRegression,andr,recall,0.5757575757575758, DUD-AD,LogisticRegression,andr,precision,0.7307692307692307, DUD-AD,LogisticRegression,andr,MCC,0.6325504348420034, -DUD-AD,SimilaritySearch,andr,AUROC,0.568955101251752, -DUD-AD,SimilaritySearch,andr,BEDROC,0.22055449966365898, -DUD-AD,SimilaritySearch,andr,Enrichment factor 1%,5.714285714285714, -DUD-AD,SimilaritySearch,andr,Enrichment factor 5%,3.0303030303030303, -DUD-AD,SimilaritySearch,andr,RIE,2.7883407325484506, -DUD-AD,SimilaritySearch,andr,AUPRC,0.10448403340734046, +DUD-AD,SimilaritySearch_Mean,andr,AUROC,0.568955101251752, +DUD-AD,SimilaritySearch_Mean,andr,BEDROC,0.22055449966365898, +DUD-AD,SimilaritySearch_Mean,andr,Enrichment factor 1%,5.714285714285714, +DUD-AD,SimilaritySearch_Mean,andr,Enrichment factor 5%,3.0303030303030303, +DUD-AD,SimilaritySearch_Mean,andr,RIE,2.7883407325484506, +DUD-AD,SimilaritySearch_Mean,andr,AUPRC,0.10448403340734046, +DUD-AD,SimilaritySearch_Max,andr,AUROC,0.849439369774298, +DUD-AD,SimilaritySearch_Max,andr,BEDROC,0.6181885212960018, +DUD-AD,SimilaritySearch_Max,andr,Enrichment factor 1%,14.285714285714286, +DUD-AD,SimilaritySearch_Max,andr,Enrichment factor 5%,10.0, +DUD-AD,SimilaritySearch_Max,andr,RIE,7.815393514014091, +DUD-AD,SimilaritySearch_Max,andr,AUPRC,0.4425322293431891, +DUD-AD,LightGBM_Ranker,andr,AUROC,0.8262227538543329, +DUD-AD,LightGBM_Ranker,andr,BEDROC,0.4528063625925289, +DUD-AD,LightGBM_Ranker,andr,Enrichment factor 1%,14.285714285714286, +DUD-AD,LightGBM_Ranker,andr,Enrichment factor 5%,7.2727272727272725, +DUD-AD,LightGBM_Ranker,andr,RIE,5.724564269820811, +DUD-AD,LightGBM_Ranker,andr,AUPRC,0.3260492923925996, +DUD-AD,LightGBM_Ranker,andr,accuracy,0.543939393939394, +DUD-AD,LightGBM_Ranker,andr,F1 score,0.1685082872928177, +DUD-AD,LightGBM_Ranker,andr,recall,0.9242424242424242, +DUD-AD,LightGBM_Ranker,andr,precision,0.09270516717325228, +DUD-AD,LightGBM_Ranker,andr,MCC,0.1953518703211808, DUD-AD,RandomForest,aofb,AUROC,0.9579306642123026, DUD-AD,RandomForest,aofb,BEDROC,0.7851291285862555, DUD-AD,RandomForest,aofb,Enrichment factor 1%,20.4833091436865, @@ -2429,12 +3891,29 @@ DUD-AD,LogisticRegression,aofb,F1 score,0.4166666666666667, DUD-AD,LogisticRegression,aofb,recall,0.2830188679245283, DUD-AD,LogisticRegression,aofb,precision,0.7894736842105263, DUD-AD,LogisticRegression,aofb,MCC,0.4609314943054072, -DUD-AD,SimilaritySearch,aofb,AUROC,0.6376744899524468, -DUD-AD,SimilaritySearch,aofb,BEDROC,0.2235556447128066, -DUD-AD,SimilaritySearch,aofb,Enrichment factor 1%,3.7242380261248185, -DUD-AD,SimilaritySearch,aofb,Enrichment factor 5%,3.7242380261248185, -DUD-AD,SimilaritySearch,aofb,RIE,3.0429400138499076, -DUD-AD,SimilaritySearch,aofb,AUPRC,0.09301361307114432, +DUD-AD,SimilaritySearch_Mean,aofb,AUROC,0.6376744899524468, +DUD-AD,SimilaritySearch_Mean,aofb,BEDROC,0.2235556447128066, +DUD-AD,SimilaritySearch_Mean,aofb,Enrichment factor 1%,3.7242380261248185, +DUD-AD,SimilaritySearch_Mean,aofb,Enrichment factor 5%,3.7242380261248185, +DUD-AD,SimilaritySearch_Mean,aofb,RIE,3.0429400138499076, +DUD-AD,SimilaritySearch_Mean,aofb,AUPRC,0.09301361307114432, +DUD-AD,SimilaritySearch_Max,aofb,AUROC,0.8456281638288081, +DUD-AD,SimilaritySearch_Max,aofb,BEDROC,0.5418994105002127, +DUD-AD,SimilaritySearch_Max,aofb,Enrichment factor 1%,18.621190130624093, +DUD-AD,SimilaritySearch_Max,aofb,Enrichment factor 5%,8.565747460087083, +DUD-AD,SimilaritySearch_Max,aofb,RIE,7.376093685340621, +DUD-AD,SimilaritySearch_Max,aofb,AUPRC,0.406659015924038, +DUD-AD,LightGBM_Ranker,aofb,AUROC,0.7840773124712379, +DUD-AD,LightGBM_Ranker,aofb,BEDROC,0.37829026845343305, +DUD-AD,LightGBM_Ranker,aofb,Enrichment factor 1%,14.896952104499274, +DUD-AD,LightGBM_Ranker,aofb,Enrichment factor 5%,5.95878084179971, +DUD-AD,LightGBM_Ranker,aofb,RIE,5.149118852659619, +DUD-AD,LightGBM_Ranker,aofb,AUPRC,0.2470624364504074, +DUD-AD,LightGBM_Ranker,aofb,accuracy,0.5323460639127046, +DUD-AD,LightGBM_Ranker,aofb,F1 score,0.13544668587896252, +DUD-AD,LightGBM_Ranker,aofb,recall,0.8867924528301887, +DUD-AD,LightGBM_Ranker,aofb,precision,0.07332293291731669, +DUD-AD,LightGBM_Ranker,aofb,MCC,0.16074254864229773, DUD-AD,RandomForest,braf,AUROC,0.9501435771214252, DUD-AD,RandomForest,braf,BEDROC,0.7664381450687343, DUD-AD,RandomForest,braf,Enrichment factor 1%,44.136752136752136, @@ -2457,12 +3936,29 @@ DUD-AD,LogisticRegression,braf,F1 score,0.6190476190476191, DUD-AD,LogisticRegression,braf,recall,0.48148148148148145, DUD-AD,LogisticRegression,braf,precision,0.8666666666666667, DUD-AD,LogisticRegression,braf,MCC,0.6408176736352922, -DUD-AD,SimilaritySearch,braf,AUROC,0.8342709798406001, -DUD-AD,SimilaritySearch,braf,BEDROC,0.33924732936882795, -DUD-AD,SimilaritySearch,braf,Enrichment factor 1%,7.356125356125356, -DUD-AD,SimilaritySearch,braf,Enrichment factor 5%,5.884900284900285, -DUD-AD,SimilaritySearch,braf,RIE,5.544716908067134, -DUD-AD,SimilaritySearch,braf,AUPRC,0.16157886739546765, +DUD-AD,SimilaritySearch_Mean,braf,AUROC,0.8342709798406001, +DUD-AD,SimilaritySearch_Mean,braf,BEDROC,0.33924732936882795, +DUD-AD,SimilaritySearch_Mean,braf,Enrichment factor 1%,7.356125356125356, +DUD-AD,SimilaritySearch_Mean,braf,Enrichment factor 5%,5.884900284900285, +DUD-AD,SimilaritySearch_Mean,braf,RIE,5.544716908067134, +DUD-AD,SimilaritySearch_Mean,braf,AUPRC,0.16157886739546765, +DUD-AD,SimilaritySearch_Max,braf,AUROC,0.9355807548054383, +DUD-AD,SimilaritySearch_Max,braf,BEDROC,0.6848828783161408, +DUD-AD,SimilaritySearch_Max,braf,Enrichment factor 1%,33.1025641025641, +DUD-AD,SimilaritySearch_Max,braf,Enrichment factor 5%,13.241025641025642, +DUD-AD,SimilaritySearch_Max,braf,RIE,11.193843927436623, +DUD-AD,SimilaritySearch_Max,braf,AUPRC,0.42364250433184714, +DUD-AD,LightGBM_Ranker,braf,AUROC,0.6603375527426162, +DUD-AD,LightGBM_Ranker,braf,BEDROC,0.32873590391446617, +DUD-AD,LightGBM_Ranker,braf,Enrichment factor 1%,14.712250712250713, +DUD-AD,LightGBM_Ranker,braf,Enrichment factor 5%,5.884900284900285, +DUD-AD,LightGBM_Ranker,braf,RIE,5.372916357668959, +DUD-AD,LightGBM_Ranker,braf,AUPRC,0.20241666795241692, +DUD-AD,LightGBM_Ranker,braf,accuracy,0.5073586367157242, +DUD-AD,LightGBM_Ranker,braf,F1 score,0.05357142857142857, +DUD-AD,LightGBM_Ranker,braf,recall,0.6666666666666666, +DUD-AD,LightGBM_Ranker,braf,precision,0.027906976744186046, +DUD-AD,LightGBM_Ranker,braf,MCC,0.04883095913320832, DUD-AD,RandomForest,cdk2,AUROC,0.9453670397015721, DUD-AD,RandomForest,cdk2,BEDROC,0.8480980998984541, DUD-AD,RandomForest,cdk2,Enrichment factor 1%,11.425, @@ -2485,12 +3981,29 @@ DUD-AD,LogisticRegression,cdk2,F1 score,0.6146788990825688, DUD-AD,LogisticRegression,cdk2,recall,0.5583333333333333, DUD-AD,LogisticRegression,cdk2,precision,0.6836734693877551, DUD-AD,LogisticRegression,cdk2,MCC,0.585288151668462, -DUD-AD,SimilaritySearch,cdk2,AUROC,0.6476219024780177, -DUD-AD,SimilaritySearch,cdk2,BEDROC,0.14838188674587516, -DUD-AD,SimilaritySearch,cdk2,Enrichment factor 1%,2.4482142857142857, -DUD-AD,SimilaritySearch,cdk2,Enrichment factor 5%,0.9934782608695653, -DUD-AD,SimilaritySearch,cdk2,RIE,1.4008317195220186, -DUD-AD,SimilaritySearch,cdk2,AUPRC,0.13427421797002387, +DUD-AD,SimilaritySearch_Mean,cdk2,AUROC,0.6476219024780177, +DUD-AD,SimilaritySearch_Mean,cdk2,BEDROC,0.14838188674587516, +DUD-AD,SimilaritySearch_Mean,cdk2,Enrichment factor 1%,2.4482142857142857, +DUD-AD,SimilaritySearch_Mean,cdk2,Enrichment factor 5%,0.9934782608695653, +DUD-AD,SimilaritySearch_Mean,cdk2,RIE,1.4008317195220186, +DUD-AD,SimilaritySearch_Mean,cdk2,AUPRC,0.13427421797002387, +DUD-AD,SimilaritySearch_Max,cdk2,AUROC,0.8313049560351717, +DUD-AD,SimilaritySearch_Max,cdk2,BEDROC,0.7099720078871673, +DUD-AD,SimilaritySearch_Max,cdk2,Enrichment factor 1%,9.792857142857143, +DUD-AD,SimilaritySearch_Max,cdk2,Enrichment factor 5%,8.941304347826087, +DUD-AD,SimilaritySearch_Max,cdk2,RIE,6.702645905861294, +DUD-AD,SimilaritySearch_Max,cdk2,AUPRC,0.5504648993242293, +DUD-AD,LightGBM_Ranker,cdk2,AUROC,0.6495170530242473, +DUD-AD,LightGBM_Ranker,cdk2,BEDROC,0.3204021949690445, +DUD-AD,LightGBM_Ranker,cdk2,Enrichment factor 1%,4.080357142857143, +DUD-AD,LightGBM_Ranker,cdk2,Enrichment factor 5%,3.4771739130434782, +DUD-AD,LightGBM_Ranker,cdk2,RIE,3.024827007442328, +DUD-AD,LightGBM_Ranker,cdk2,AUPRC,0.210052926823895, +DUD-AD,LightGBM_Ranker,cdk2,accuracy,0.5193289569657185, +DUD-AD,LightGBM_Ranker,cdk2,F1 score,0.1813664596273292, +DUD-AD,LightGBM_Ranker,cdk2,recall,0.6083333333333333, +DUD-AD,LightGBM_Ranker,cdk2,precision,0.10656934306569343, +DUD-AD,LightGBM_Ranker,cdk2,MCC,0.06733079696935404, DUD-AD,RandomForest,cp2c9,AUROC,0.9129180035061025, DUD-AD,RandomForest,cp2c9,BEDROC,0.6266272938319828, DUD-AD,RandomForest,cp2c9,Enrichment factor 1%,20.141287284144425, @@ -2513,18 +4026,35 @@ DUD-AD,LogisticRegression,cp2c9,F1 score,0.3448275862068966, DUD-AD,LogisticRegression,cp2c9,recall,0.30612244897959184, DUD-AD,LogisticRegression,cp2c9,precision,0.39473684210526316, DUD-AD,LogisticRegression,cp2c9,MCC,0.3250069411554645, -DUD-AD,SimilaritySearch,cp2c9,AUROC,0.5513180961201337, -DUD-AD,SimilaritySearch,cp2c9,BEDROC,0.07109625736129724, -DUD-AD,SimilaritySearch,cp2c9,Enrichment factor 1%,0.0, -DUD-AD,SimilaritySearch,cp2c9,Enrichment factor 5%,1.2084772370486656, -DUD-AD,SimilaritySearch,cp2c9,RIE,0.9943036892936453, -DUD-AD,SimilaritySearch,cp2c9,AUPRC,0.04392099346268988, +DUD-AD,SimilaritySearch_Mean,cp2c9,AUROC,0.5513180961201337, +DUD-AD,SimilaritySearch_Mean,cp2c9,BEDROC,0.07109625736129724, +DUD-AD,SimilaritySearch_Mean,cp2c9,Enrichment factor 1%,0.0, +DUD-AD,SimilaritySearch_Mean,cp2c9,Enrichment factor 5%,1.2084772370486656, +DUD-AD,SimilaritySearch_Mean,cp2c9,RIE,0.9943036892936453, +DUD-AD,SimilaritySearch_Mean,cp2c9,AUPRC,0.04392099346268988, +DUD-AD,SimilaritySearch_Max,cp2c9,AUROC,0.7128386200509377, +DUD-AD,SimilaritySearch_Max,cp2c9,BEDROC,0.42090785434418654, +DUD-AD,SimilaritySearch_Max,cp2c9,Enrichment factor 1%,12.084772370486657, +DUD-AD,SimilaritySearch_Max,cp2c9,Enrichment factor 5%,7.250863422291994, +DUD-AD,SimilaritySearch_Max,cp2c9,RIE,5.886529422440399, +DUD-AD,SimilaritySearch_Max,cp2c9,AUPRC,0.23401080901607763, +DUD-AD,LightGBM_Ranker,cp2c9,AUROC,0.7359838586974498, +DUD-AD,LightGBM_Ranker,cp2c9,BEDROC,0.369603250846855, +DUD-AD,LightGBM_Ranker,cp2c9,Enrichment factor 1%,16.113029827315543, +DUD-AD,LightGBM_Ranker,cp2c9,Enrichment factor 5%,6.042386185243329, +DUD-AD,LightGBM_Ranker,cp2c9,RIE,5.169018328973668, +DUD-AD,LightGBM_Ranker,cp2c9,AUPRC,0.2626109843624014, +DUD-AD,LightGBM_Ranker,cp2c9,accuracy,0.5214341387373344, +DUD-AD,LightGBM_Ranker,cp2c9,F1 score,0.11014492753623188, +DUD-AD,LightGBM_Ranker,cp2c9,recall,0.7755102040816326, +DUD-AD,LightGBM_Ranker,cp2c9,precision,0.059282371294851796, +DUD-AD,LightGBM_Ranker,cp2c9,MCC,0.10995681598888046, DUD-AD,RandomForest,cp3a4,AUROC,0.8818079613590939, DUD-AD,RandomForest,cp3a4,BEDROC,0.7078496692697733, DUD-AD,RandomForest,cp3a4,Enrichment factor 1%,15.13145082765336, DUD-AD,RandomForest,cp3a4,Enrichment factor 5%,10.592015579357351, DUD-AD,RandomForest,cp3a4,RIE,8.17796159504118, -DUD-AD,RandomForest,cp3a4,AUPRC,0.6003835877982916, +DUD-AD,RandomForest,cp3a4,AUPRC,0.6003835877982917, DUD-AD,RandomForest,cp3a4,accuracy,0.9498069498069498, DUD-AD,RandomForest,cp3a4,F1 score,0.3157894736842105, DUD-AD,RandomForest,cp3a4,recall,0.189873417721519, @@ -2541,12 +4071,29 @@ DUD-AD,LogisticRegression,cp3a4,F1 score,0.37383177570093457, DUD-AD,LogisticRegression,cp3a4,recall,0.25316455696202533, DUD-AD,LogisticRegression,cp3a4,precision,0.7142857142857143, DUD-AD,LogisticRegression,cp3a4,MCC,0.405770750433069, -DUD-AD,SimilaritySearch,cp3a4,AUROC,0.5732428381079281, -DUD-AD,SimilaritySearch,cp3a4,BEDROC,0.13692043381478358, -DUD-AD,SimilaritySearch,cp3a4,Enrichment factor 1%,2.5219084712755597, -DUD-AD,SimilaritySearch,cp3a4,Enrichment factor 5%,2.017526777020448, -DUD-AD,SimilaritySearch,cp3a4,RIE,1.5818755647975804, -DUD-AD,SimilaritySearch,cp3a4,AUPRC,0.10207799582555399, +DUD-AD,SimilaritySearch_Mean,cp3a4,AUROC,0.5732428381079281, +DUD-AD,SimilaritySearch_Mean,cp3a4,BEDROC,0.13692043381478358, +DUD-AD,SimilaritySearch_Mean,cp3a4,Enrichment factor 1%,2.5219084712755597, +DUD-AD,SimilaritySearch_Mean,cp3a4,Enrichment factor 5%,2.017526777020448, +DUD-AD,SimilaritySearch_Mean,cp3a4,RIE,1.5818755647975804, +DUD-AD,SimilaritySearch_Mean,cp3a4,AUPRC,0.10207799582555399, +DUD-AD,SimilaritySearch_Max,cp3a4,AUROC,0.7521548134576949, +DUD-AD,SimilaritySearch_Max,cp3a4,BEDROC,0.5003817026390089, +DUD-AD,SimilaritySearch_Max,cp3a4,Enrichment factor 1%,12.6095423563778, +DUD-AD,SimilaritySearch_Max,cp3a4,Enrichment factor 5%,7.817916260954236, +DUD-AD,SimilaritySearch_Max,cp3a4,RIE,5.781033094216289, +DUD-AD,SimilaritySearch_Max,cp3a4,AUPRC,0.3479026725249481, +DUD-AD,LightGBM_Ranker,cp3a4,AUROC,0.7575470519653564, +DUD-AD,LightGBM_Ranker,cp3a4,BEDROC,0.40947423956051215, +DUD-AD,LightGBM_Ranker,cp3a4,Enrichment factor 1%,10.087633885102239, +DUD-AD,LightGBM_Ranker,cp3a4,Enrichment factor 5%,5.800389483933787, +DUD-AD,LightGBM_Ranker,cp3a4,RIE,4.730756790220237, +DUD-AD,LightGBM_Ranker,cp3a4,AUPRC,0.2748121777186028, +DUD-AD,LightGBM_Ranker,cp3a4,accuracy,0.5382239382239382, +DUD-AD,LightGBM_Ranker,cp3a4,F1 score,0.1763085399449036, +DUD-AD,LightGBM_Ranker,cp3a4,recall,0.810126582278481, +DUD-AD,LightGBM_Ranker,cp3a4,precision,0.09891808346213292, +DUD-AD,LightGBM_Ranker,cp3a4,MCC,0.15829100141850522, DUD-AD,RandomForest,csf1r,AUROC,0.9462160576600738, DUD-AD,RandomForest,csf1r,BEDROC,0.7260009517707748, DUD-AD,RandomForest,csf1r,Enrichment factor 1%,31.433198380566804, @@ -2569,12 +4116,29 @@ DUD-AD,LogisticRegression,csf1r,F1 score,0.46153846153846156, DUD-AD,LogisticRegression,csf1r,recall,0.3157894736842105, DUD-AD,LogisticRegression,csf1r,precision,0.8571428571428571, DUD-AD,LogisticRegression,csf1r,MCC,0.5127666970750735, -DUD-AD,SimilaritySearch,csf1r,AUROC,0.7721463291987931, -DUD-AD,SimilaritySearch,csf1r,BEDROC,0.24639932036996215, -DUD-AD,SimilaritySearch,csf1r,Enrichment factor 1%,7.858299595141701, -DUD-AD,SimilaritySearch,csf1r,Enrichment factor 5%,4.191093117408907, -DUD-AD,SimilaritySearch,csf1r,RIE,3.7269840022558736, -DUD-AD,SimilaritySearch,csf1r,AUPRC,0.10731139789013898, +DUD-AD,SimilaritySearch_Mean,csf1r,AUROC,0.7721463291987931, +DUD-AD,SimilaritySearch_Mean,csf1r,BEDROC,0.24639932036996215, +DUD-AD,SimilaritySearch_Mean,csf1r,Enrichment factor 1%,7.858299595141701, +DUD-AD,SimilaritySearch_Mean,csf1r,Enrichment factor 5%,4.191093117408907, +DUD-AD,SimilaritySearch_Mean,csf1r,RIE,3.7269840022558736, +DUD-AD,SimilaritySearch_Mean,csf1r,AUPRC,0.10731139789013898, +DUD-AD,SimilaritySearch_Max,csf1r,AUROC,0.8826055983908817, +DUD-AD,SimilaritySearch_Max,csf1r,BEDROC,0.5998931559972615, +DUD-AD,SimilaritySearch_Max,csf1r,Enrichment factor 1%,20.955465587044532, +DUD-AD,SimilaritySearch_Max,csf1r,Enrichment factor 5%,12.049392712550606, +DUD-AD,SimilaritySearch_Max,csf1r,RIE,9.073856909505364, +DUD-AD,SimilaritySearch_Max,csf1r,AUPRC,0.38849771374436054, +DUD-AD,LightGBM_Ranker,csf1r,AUROC,0.783397586322494, +DUD-AD,LightGBM_Ranker,csf1r,BEDROC,0.3640975976623864, +DUD-AD,LightGBM_Ranker,csf1r,Enrichment factor 1%,10.477732793522266, +DUD-AD,LightGBM_Ranker,csf1r,Enrichment factor 5%,6.28663967611336, +DUD-AD,LightGBM_Ranker,csf1r,RIE,5.507263222593714, +DUD-AD,LightGBM_Ranker,csf1r,AUPRC,0.212067950910959, +DUD-AD,LightGBM_Ranker,csf1r,accuracy,0.5200927357032458, +DUD-AD,LightGBM_Ranker,csf1r,F1 score,0.09343065693430656, +DUD-AD,LightGBM_Ranker,csf1r,recall,0.8421052631578947, +DUD-AD,LightGBM_Ranker,csf1r,precision,0.04945904173106646, +DUD-AD,LightGBM_Ranker,csf1r,MCC,0.11901089739019635, DUD-AD,RandomForest,cxcr4,AUROC,0.9948827503974562, DUD-AD,RandomForest,cxcr4,BEDROC,0.9181498432811324, DUD-AD,RandomForest,cxcr4,Enrichment factor 1%,60.86538461538461, @@ -2597,12 +4161,29 @@ DUD-AD,LogisticRegression,cxcr4,F1 score,0.4, DUD-AD,LogisticRegression,cxcr4,recall,0.25, DUD-AD,LogisticRegression,cxcr4,precision,1.0, DUD-AD,LogisticRegression,cxcr4,MCC,0.49881187950893924, -DUD-AD,SimilaritySearch,cxcr4,AUROC,0.8461844197138315, -DUD-AD,SimilaritySearch,cxcr4,BEDROC,0.5154542373443445, -DUD-AD,SimilaritySearch,cxcr4,Enrichment factor 1%,24.346153846153847, -DUD-AD,SimilaritySearch,cxcr4,Enrichment factor 5%,9.890625, -DUD-AD,SimilaritySearch,cxcr4,RIE,9.684239821833115, -DUD-AD,SimilaritySearch,cxcr4,AUPRC,0.3131710368750738, +DUD-AD,SimilaritySearch_Mean,cxcr4,AUROC,0.8461844197138315, +DUD-AD,SimilaritySearch_Mean,cxcr4,BEDROC,0.5154542373443445, +DUD-AD,SimilaritySearch_Mean,cxcr4,Enrichment factor 1%,24.346153846153847, +DUD-AD,SimilaritySearch_Mean,cxcr4,Enrichment factor 5%,9.890625, +DUD-AD,SimilaritySearch_Mean,cxcr4,RIE,9.684239821833115, +DUD-AD,SimilaritySearch_Mean,cxcr4,AUPRC,0.3131710368750738, +DUD-AD,SimilaritySearch_Max,cxcr4,AUROC,0.9836049284578697, +DUD-AD,SimilaritySearch_Max,cxcr4,BEDROC,0.8414435161385095, +DUD-AD,SimilaritySearch_Max,cxcr4,Enrichment factor 1%,73.03846153846153, +DUD-AD,SimilaritySearch_Max,cxcr4,Enrichment factor 5%,17.30859375, +DUD-AD,SimilaritySearch_Max,cxcr4,RIE,15.808854020621318, +DUD-AD,SimilaritySearch_Max,cxcr4,AUPRC,0.6930102657004831, +DUD-AD,LightGBM_Ranker,cxcr4,AUROC,0.9798290937996821, +DUD-AD,LightGBM_Ranker,cxcr4,BEDROC,0.801935724382277, +DUD-AD,LightGBM_Ranker,cxcr4,Enrichment factor 1%,60.86538461538461, +DUD-AD,LightGBM_Ranker,cxcr4,Enrichment factor 5%,17.30859375, +DUD-AD,LightGBM_Ranker,cxcr4,RIE,15.066590400026074, +DUD-AD,LightGBM_Ranker,cxcr4,AUPRC,0.6167183796595562, +DUD-AD,LightGBM_Ranker,cxcr4,accuracy,0.5063191153238547, +DUD-AD,LightGBM_Ranker,cxcr4,F1 score,0.0249609984399376, +DUD-AD,LightGBM_Ranker,cxcr4,recall,1.0, +DUD-AD,LightGBM_Ranker,cxcr4,precision,0.01263823064770932, +DUD-AD,LightGBM_Ranker,cxcr4,MCC,0.07974522228289001, DUD-AD,RandomForest,egfr,AUROC,0.9529503105590063, DUD-AD,RandomForest,egfr,BEDROC,0.8666940046285359, DUD-AD,RandomForest,egfr,Enrichment factor 1%,13.88, @@ -2625,12 +4206,29 @@ DUD-AD,LogisticRegression,egfr,F1 score,0.6826347305389222, DUD-AD,LogisticRegression,egfr,recall,0.57, DUD-AD,LogisticRegression,egfr,precision,0.8507462686567164, DUD-AD,LogisticRegression,egfr,MCC,0.6782468580775817, -DUD-AD,SimilaritySearch,egfr,AUROC,0.7809782608695652, -DUD-AD,SimilaritySearch,egfr,BEDROC,0.49739124273424995, -DUD-AD,SimilaritySearch,egfr,Enrichment factor 1%,8.922857142857143, -DUD-AD,SimilaritySearch,egfr,Enrichment factor 5%,5.948571428571429, -DUD-AD,SimilaritySearch,egfr,RIE,5.2695986396785335, -DUD-AD,SimilaritySearch,egfr,AUPRC,0.34532779132273267, +DUD-AD,SimilaritySearch_Mean,egfr,AUROC,0.7809782608695652, +DUD-AD,SimilaritySearch_Mean,egfr,BEDROC,0.49739124273424995, +DUD-AD,SimilaritySearch_Mean,egfr,Enrichment factor 1%,8.922857142857143, +DUD-AD,SimilaritySearch_Mean,egfr,Enrichment factor 5%,5.948571428571429, +DUD-AD,SimilaritySearch_Mean,egfr,RIE,5.2695986396785335, +DUD-AD,SimilaritySearch_Mean,egfr,AUPRC,0.34532779132273267, +DUD-AD,SimilaritySearch_Max,egfr,AUROC,0.8970419254658385, +DUD-AD,SimilaritySearch_Max,egfr,BEDROC,0.7710970737520553, +DUD-AD,SimilaritySearch_Max,egfr,Enrichment factor 1%,12.88857142857143, +DUD-AD,SimilaritySearch_Max,egfr,Enrichment factor 5%,10.905714285714287, +DUD-AD,SimilaritySearch_Max,egfr,RIE,8.169367927181447, +DUD-AD,SimilaritySearch_Max,egfr,AUPRC,0.6580752234412112, +DUD-AD,LightGBM_Ranker,egfr,AUROC,0.7675155279503105, +DUD-AD,LightGBM_Ranker,egfr,BEDROC,0.34067656785745326, +DUD-AD,LightGBM_Ranker,egfr,Enrichment factor 1%,6.94, +DUD-AD,LightGBM_Ranker,egfr,Enrichment factor 5%,2.9742857142857146, +DUD-AD,LightGBM_Ranker,egfr,RIE,3.60928910436879, +DUD-AD,LightGBM_Ranker,egfr,AUPRC,0.2500986187373173, +DUD-AD,LightGBM_Ranker,egfr,accuracy,0.5489913544668588, +DUD-AD,LightGBM_Ranker,egfr,F1 score,0.21158690176322417, +DUD-AD,LightGBM_Ranker,egfr,recall,0.84, +DUD-AD,LightGBM_Ranker,egfr,precision,0.12103746397694524, +DUD-AD,LightGBM_Ranker,egfr,MCC,0.18947459227561994, DUD-AD,RandomForest,esr1,AUROC,0.9697952519636396, DUD-AD,RandomForest,esr1,BEDROC,0.8645083696051774, DUD-AD,RandomForest,esr1,Enrichment factor 1%,13.918253968253968, @@ -2653,13 +4251,30 @@ DUD-AD,LogisticRegression,esr1,F1 score,0.6787878787878788, DUD-AD,LogisticRegression,esr1,recall,0.6222222222222222, DUD-AD,LogisticRegression,esr1,precision,0.7466666666666667, DUD-AD,LogisticRegression,esr1,MCC,0.6611516659506437, -DUD-AD,SimilaritySearch,esr1,AUROC,0.8475068396434561, -DUD-AD,SimilaritySearch,esr1,BEDROC,0.5345263325603963, -DUD-AD,SimilaritySearch,esr1,Enrichment factor 1%,11.776984126984125, -DUD-AD,SimilaritySearch,esr1,Enrichment factor 5%,7.053594771241831, -DUD-AD,SimilaritySearch,esr1,RIE,5.9021136083213825, -DUD-AD,SimilaritySearch,esr1,AUPRC,0.4108428020887934, -DUD-AD,RandomForest,esr2,AUROC,0.9729436429798474, +DUD-AD,SimilaritySearch_Mean,esr1,AUROC,0.8475068396434561, +DUD-AD,SimilaritySearch_Mean,esr1,BEDROC,0.5345263325603963, +DUD-AD,SimilaritySearch_Mean,esr1,Enrichment factor 1%,11.776984126984125, +DUD-AD,SimilaritySearch_Mean,esr1,Enrichment factor 5%,7.053594771241831, +DUD-AD,SimilaritySearch_Mean,esr1,RIE,5.9021136083213825, +DUD-AD,SimilaritySearch_Mean,esr1,AUPRC,0.4108428020887934, +DUD-AD,SimilaritySearch_Max,esr1,AUROC,0.920112964433854, +DUD-AD,SimilaritySearch_Max,esr1,BEDROC,0.7641279693265051, +DUD-AD,SimilaritySearch_Max,esr1,Enrichment factor 1%,12.847619047619046, +DUD-AD,SimilaritySearch_Max,esr1,Enrichment factor 5%,10.359967320261438, +DUD-AD,SimilaritySearch_Max,esr1,RIE,8.437320655120649, +DUD-AD,SimilaritySearch_Max,esr1,AUPRC,0.6376718833402633, +DUD-AD,LightGBM_Ranker,esr1,AUROC,0.7208234048186392, +DUD-AD,LightGBM_Ranker,esr1,BEDROC,0.34016727243430733, +DUD-AD,LightGBM_Ranker,esr1,Enrichment factor 1%,7.4944444444444445, +DUD-AD,LightGBM_Ranker,esr1,Enrichment factor 5%,4.408496732026143, +DUD-AD,LightGBM_Ranker,esr1,RIE,3.7560467693341293, +DUD-AD,LightGBM_Ranker,esr1,AUPRC,0.21114665640622596, +DUD-AD,LightGBM_Ranker,esr1,accuracy,0.5507783543365455, +DUD-AD,LightGBM_Ranker,esr1,F1 score,0.2047244094488189, +DUD-AD,LightGBM_Ranker,esr1,recall,0.8666666666666667, +DUD-AD,LightGBM_Ranker,esr1,precision,0.11607142857142858, +DUD-AD,LightGBM_Ranker,esr1,MCC,0.19706173530906185, +DUD-AD,RandomForest,esr2,AUROC,0.9729436429798475, DUD-AD,RandomForest,esr2,BEDROC,0.8578067136401444, DUD-AD,RandomForest,esr2,Enrichment factor 1%,13.40531561461794, DUD-AD,RandomForest,esr2,Enrichment factor 5%,12.879616963064297, @@ -2681,12 +4296,29 @@ DUD-AD,LogisticRegression,esr2,F1 score,0.7307692307692307, DUD-AD,LogisticRegression,esr2,recall,0.6627906976744186, DUD-AD,LogisticRegression,esr2,precision,0.8142857142857143, DUD-AD,LogisticRegression,esr2,MCC,0.7186463537336126, -DUD-AD,SimilaritySearch,esr2,AUROC,0.84664831815579, -DUD-AD,SimilaritySearch,esr2,BEDROC,0.589428056682662, -DUD-AD,SimilaritySearch,esr2,Enrichment factor 1%,8.93687707641196, -DUD-AD,SimilaritySearch,esr2,Enrichment factor 5%,8.279753761969904, -DUD-AD,SimilaritySearch,esr2,RIE,6.652276230361516, -DUD-AD,SimilaritySearch,esr2,AUPRC,0.4479303307535376, +DUD-AD,SimilaritySearch_Mean,esr2,AUROC,0.84664831815579, +DUD-AD,SimilaritySearch_Mean,esr2,BEDROC,0.589428056682662, +DUD-AD,SimilaritySearch_Mean,esr2,Enrichment factor 1%,8.93687707641196, +DUD-AD,SimilaritySearch_Mean,esr2,Enrichment factor 5%,8.279753761969904, +DUD-AD,SimilaritySearch_Mean,esr2,RIE,6.652276230361516, +DUD-AD,SimilaritySearch_Mean,esr2,AUPRC,0.4479303307535376, +DUD-AD,SimilaritySearch_Max,esr2,AUROC,0.924783419842252, +DUD-AD,SimilaritySearch_Max,esr2,BEDROC,0.7719412004124945, +DUD-AD,SimilaritySearch_Max,esr2,Enrichment factor 1%,12.288205980066444, +DUD-AD,SimilaritySearch_Max,esr2,Enrichment factor 5%,10.809678522571819, +DUD-AD,SimilaritySearch_Max,esr2,RIE,8.712116814374085, +DUD-AD,SimilaritySearch_Max,esr2,AUPRC,0.6318833114748412, +DUD-AD,LightGBM_Ranker,esr2,AUROC,0.8116214418974084, +DUD-AD,LightGBM_Ranker,esr2,BEDROC,0.3249933478289604, +DUD-AD,LightGBM_Ranker,esr2,Enrichment factor 1%,8.93687707641196, +DUD-AD,LightGBM_Ranker,esr2,Enrichment factor 5%,4.139876880984952, +DUD-AD,LightGBM_Ranker,esr2,RIE,3.667870099454627, +DUD-AD,LightGBM_Ranker,esr2,AUPRC,0.2528564633380555, +DUD-AD,LightGBM_Ranker,esr2,accuracy,0.5524163568773234, +DUD-AD,LightGBM_Ranker,esr2,F1 score,0.20580474934036938, +DUD-AD,LightGBM_Ranker,esr2,recall,0.9069767441860465, +DUD-AD,LightGBM_Ranker,esr2,precision,0.11607142857142858, +DUD-AD,LightGBM_Ranker,esr2,MCC,0.21292790864457903, DUD-AD,RandomForest,fa7,AUROC,0.9992627698788836, DUD-AD,RandomForest,fa7,BEDROC,0.9875634126988299, DUD-AD,RandomForest,fa7,Enrichment factor 1%,78.83076923076923, @@ -2709,12 +4341,29 @@ DUD-AD,LogisticRegression,fa7,F1 score,0.7272727272727273, DUD-AD,LogisticRegression,fa7,recall,0.8, DUD-AD,LogisticRegression,fa7,precision,0.6666666666666666, DUD-AD,LogisticRegression,fa7,MCC,0.7268320270000846, -DUD-AD,SimilaritySearch,fa7,AUROC,0.8807793575566087, -DUD-AD,SimilaritySearch,fa7,BEDROC,0.5970541205570341, -DUD-AD,SimilaritySearch,fa7,Enrichment factor 1%,26.276923076923076, -DUD-AD,SimilaritySearch,fa7,Enrichment factor 5%,13.138461538461538, -DUD-AD,SimilaritySearch,fa7,RIE,10.645879818983868, -DUD-AD,SimilaritySearch,fa7,AUPRC,0.30569600529739893, +DUD-AD,SimilaritySearch_Mean,fa7,AUROC,0.8807793575566087, +DUD-AD,SimilaritySearch_Mean,fa7,BEDROC,0.5970541205570341, +DUD-AD,SimilaritySearch_Mean,fa7,Enrichment factor 1%,26.276923076923076, +DUD-AD,SimilaritySearch_Mean,fa7,Enrichment factor 5%,13.138461538461538, +DUD-AD,SimilaritySearch_Mean,fa7,RIE,10.645879818983868, +DUD-AD,SimilaritySearch_Mean,fa7,AUPRC,0.30569600529739893, +DUD-AD,SimilaritySearch_Max,fa7,AUROC,0.9963138493944181, +DUD-AD,SimilaritySearch_Max,fa7,BEDROC,0.940303127427415, +DUD-AD,SimilaritySearch_Max,fa7,Enrichment factor 1%,65.6923076923077, +DUD-AD,SimilaritySearch_Max,fa7,Enrichment factor 5%,19.70769230769231, +DUD-AD,SimilaritySearch_Max,fa7,RIE,16.76624233448656, +DUD-AD,SimilaritySearch_Max,fa7,AUPRC,0.7308566052683699, +DUD-AD,LightGBM_Ranker,fa7,AUROC,0.9267509215376513, +DUD-AD,LightGBM_Ranker,fa7,BEDROC,0.539647199493395, +DUD-AD,LightGBM_Ranker,fa7,Enrichment factor 1%,26.276923076923076, +DUD-AD,LightGBM_Ranker,fa7,Enrichment factor 5%,10.510769230769231, +DUD-AD,LightGBM_Ranker,fa7,RIE,9.622275494497076, +DUD-AD,LightGBM_Ranker,fa7,AUPRC,0.32996961782915657, +DUD-AD,LightGBM_Ranker,fa7,accuracy,0.5120999219359875, +DUD-AD,LightGBM_Ranker,fa7,F1 score,0.04580152671755725, +DUD-AD,LightGBM_Ranker,fa7,recall,1.0, +DUD-AD,LightGBM_Ranker,fa7,precision,0.0234375, +DUD-AD,LightGBM_Ranker,fa7,MCC,0.10893509198326701, DUD-AD,RandomForest,fabp4,AUROC,0.9026801883375589, DUD-AD,RandomForest,fabp4,BEDROC,0.7271799399819731, DUD-AD,RandomForest,fabp4,Enrichment factor 1%,61.97202797202797, @@ -2737,12 +4386,29 @@ DUD-AD,LogisticRegression,fabp4,F1 score,0.7, DUD-AD,LogisticRegression,fabp4,recall,0.6363636363636364, DUD-AD,LogisticRegression,fabp4,precision,0.7777777777777778, DUD-AD,LogisticRegression,fabp4,MCC,0.7012061438330135, -DUD-AD,SimilaritySearch,fabp4,AUROC,0.6420137631293009, -DUD-AD,SimilaritySearch,fabp4,BEDROC,0.44683420217105896, -DUD-AD,SimilaritySearch,fabp4,Enrichment factor 1%,26.559440559440556, -DUD-AD,SimilaritySearch,fabp4,Enrichment factor 5%,8.991477272727273, -DUD-AD,SimilaritySearch,fabp4,RIE,8.203285216955951, -DUD-AD,SimilaritySearch,fabp4,AUPRC,0.21234441368370469, +DUD-AD,SimilaritySearch_Mean,fabp4,AUROC,0.6420137631293009, +DUD-AD,SimilaritySearch_Mean,fabp4,BEDROC,0.44683420217105896, +DUD-AD,SimilaritySearch_Mean,fabp4,Enrichment factor 1%,26.559440559440556, +DUD-AD,SimilaritySearch_Mean,fabp4,Enrichment factor 5%,8.991477272727273, +DUD-AD,SimilaritySearch_Mean,fabp4,RIE,8.203285216955951, +DUD-AD,SimilaritySearch_Mean,fabp4,AUPRC,0.21234441368370469, +DUD-AD,SimilaritySearch_Max,fabp4,AUROC,0.7973922491850779, +DUD-AD,SimilaritySearch_Max,fabp4,BEDROC,0.7387999562282563, +DUD-AD,SimilaritySearch_Max,fabp4,Enrichment factor 1%,70.82517482517483, +DUD-AD,SimilaritySearch_Max,fabp4,Enrichment factor 5%,14.386363636363637, +DUD-AD,SimilaritySearch_Max,fabp4,RIE,13.56339044017502, +DUD-AD,SimilaritySearch_Max,fabp4,AUPRC,0.6940732958079292, +DUD-AD,LightGBM_Ranker,fabp4,AUROC,0.862078956899674, +DUD-AD,LightGBM_Ranker,fabp4,BEDROC,0.5760755292833081, +DUD-AD,LightGBM_Ranker,fabp4,Enrichment factor 1%,44.26573426573427, +DUD-AD,LightGBM_Ranker,fabp4,Enrichment factor 5%,10.789772727272727, +DUD-AD,LightGBM_Ranker,fabp4,RIE,10.575985106869817, +DUD-AD,LightGBM_Ranker,fabp4,AUPRC,0.4339478514103041, +DUD-AD,LightGBM_Ranker,fabp4,accuracy,0.5071090047393365, +DUD-AD,LightGBM_Ranker,fabp4,F1 score,0.031055900621118012, +DUD-AD,LightGBM_Ranker,fabp4,recall,0.9090909090909091, +DUD-AD,LightGBM_Ranker,fabp4,precision,0.01579778830963665, +DUD-AD,LightGBM_Ranker,fabp4,MCC,0.07659921235609927, DUD-AD,RandomForest,fak1,AUROC,0.8106111280024324, DUD-AD,RandomForest,fak1,BEDROC,0.4513131130378684, DUD-AD,RandomForest,fak1,Enrichment factor 1%,37.81065088757396, @@ -2765,17 +4431,34 @@ DUD-AD,LogisticRegression,fak1,F1 score,0.35294117647058826, DUD-AD,LogisticRegression,fak1,recall,0.23076923076923078, DUD-AD,LogisticRegression,fak1,precision,0.75, DUD-AD,LogisticRegression,fak1,MCC,0.41313298977306206, -DUD-AD,SimilaritySearch,fak1,AUROC,0.7823654606263302, -DUD-AD,SimilaritySearch,fak1,BEDROC,0.3283406252724309, -DUD-AD,SimilaritySearch,fak1,Enrichment factor 1%,15.124260355029586, -DUD-AD,SimilaritySearch,fak1,Enrichment factor 5%,7.680288461538462, -DUD-AD,SimilaritySearch,fak1,RIE,5.941912615719783, -DUD-AD,SimilaritySearch,fak1,AUPRC,0.19873819153191796, -DUD-AD,RandomForest,fgfr1,AUROC,0.9379438261791204, -DUD-AD,RandomForest,fgfr1,BEDROC,0.7588748806161861, +DUD-AD,SimilaritySearch_Mean,fak1,AUROC,0.7823654606263302, +DUD-AD,SimilaritySearch_Mean,fak1,BEDROC,0.3283406252724309, +DUD-AD,SimilaritySearch_Mean,fak1,Enrichment factor 1%,15.124260355029586, +DUD-AD,SimilaritySearch_Mean,fak1,Enrichment factor 5%,7.680288461538462, +DUD-AD,SimilaritySearch_Mean,fak1,RIE,5.941912615719783, +DUD-AD,SimilaritySearch_Mean,fak1,AUPRC,0.19873819153191796, +DUD-AD,SimilaritySearch_Max,fak1,AUROC,0.8265126178169656, +DUD-AD,SimilaritySearch_Max,fak1,BEDROC,0.510621224489141, +DUD-AD,SimilaritySearch_Max,fak1,Enrichment factor 1%,45.37278106508875, +DUD-AD,SimilaritySearch_Max,fak1,Enrichment factor 5%,9.216346153846153, +DUD-AD,SimilaritySearch_Max,fak1,RIE,9.240607021430211, +DUD-AD,SimilaritySearch_Max,fak1,AUPRC,0.41598520554505275, +DUD-AD,LightGBM_Ranker,fak1,AUROC,0.7615080571602311, +DUD-AD,LightGBM_Ranker,fak1,BEDROC,0.21475842780797483, +DUD-AD,LightGBM_Ranker,fak1,Enrichment factor 1%,15.124260355029586, +DUD-AD,LightGBM_Ranker,fak1,Enrichment factor 5%,3.0721153846153846, +DUD-AD,LightGBM_Ranker,fak1,RIE,3.886439016366203, +DUD-AD,LightGBM_Ranker,fak1,AUPRC,0.17598973676609303, +DUD-AD,LightGBM_Ranker,fak1,accuracy,0.5086071987480438, +DUD-AD,LightGBM_Ranker,fak1,F1 score,0.03680981595092025, +DUD-AD,LightGBM_Ranker,fak1,recall,0.9230769230769231, +DUD-AD,LightGBM_Ranker,fak1,precision,0.018779342723004695, +DUD-AD,LightGBM_Ranker,fak1,MCC,0.08577796647025723, +DUD-AD,RandomForest,fgfr1,AUROC,0.9379305776364599, +DUD-AD,RandomForest,fgfr1,BEDROC,0.7587914993338499, DUD-AD,RandomForest,fgfr1,Enrichment factor 1%,39.63076923076923, DUD-AD,RandomForest,fgfr1,Enrichment factor 5%,14.531282051282052, -DUD-AD,RandomForest,fgfr1,RIE,12.132893806737997, +DUD-AD,RandomForest,fgfr1,RIE,12.131560706558354, DUD-AD,RandomForest,fgfr1,AUPRC,0.6366833223286723, DUD-AD,RandomForest,fgfr1,accuracy,0.984472049689441, DUD-AD,RandomForest,fgfr1,F1 score,0.5238095238095238, @@ -2793,18 +4476,35 @@ DUD-AD,LogisticRegression,fgfr1,F1 score,0.41025641025641024, DUD-AD,LogisticRegression,fgfr1,recall,0.26666666666666666, DUD-AD,LogisticRegression,fgfr1,precision,0.8888888888888888, DUD-AD,LogisticRegression,fgfr1,MCC,0.48141167878943353, -DUD-AD,SimilaritySearch,fgfr1,AUROC,0.7614997350291469, -DUD-AD,SimilaritySearch,fgfr1,BEDROC,0.2817082072890152, -DUD-AD,SimilaritySearch,fgfr1,Enrichment factor 1%,16.51282051282051, -DUD-AD,SimilaritySearch,fgfr1,Enrichment factor 5%,4.6235897435897435, -DUD-AD,SimilaritySearch,fgfr1,RIE,4.503951673566248, -DUD-AD,SimilaritySearch,fgfr1,AUPRC,0.16720585676340308, +DUD-AD,SimilaritySearch_Mean,fgfr1,AUROC,0.7614997350291469, +DUD-AD,SimilaritySearch_Mean,fgfr1,BEDROC,0.2817082072890152, +DUD-AD,SimilaritySearch_Mean,fgfr1,Enrichment factor 1%,16.51282051282051, +DUD-AD,SimilaritySearch_Mean,fgfr1,Enrichment factor 5%,4.6235897435897435, +DUD-AD,SimilaritySearch_Mean,fgfr1,RIE,4.503951673566248, +DUD-AD,SimilaritySearch_Mean,fgfr1,AUPRC,0.16720585676340308, +DUD-AD,SimilaritySearch_Max,fgfr1,AUROC,0.9301536830948596, +DUD-AD,SimilaritySearch_Max,fgfr1,BEDROC,0.7123449077652946, +DUD-AD,SimilaritySearch_Max,fgfr1,Enrichment factor 1%,26.420512820512823, +DUD-AD,SimilaritySearch_Max,fgfr1,Enrichment factor 5%,13.870769230769232, +DUD-AD,SimilaritySearch_Max,fgfr1,RIE,11.388972468178556, +DUD-AD,SimilaritySearch_Max,fgfr1,AUPRC,0.48099449146987505, +DUD-AD,LightGBM_Ranker,fgfr1,AUROC,0.7965818759936407, +DUD-AD,LightGBM_Ranker,fgfr1,BEDROC,0.45822272624674354, +DUD-AD,LightGBM_Ranker,fgfr1,Enrichment factor 1%,23.117948717948718, +DUD-AD,LightGBM_Ranker,fgfr1,Enrichment factor 5%,8.586666666666668, +DUD-AD,LightGBM_Ranker,fgfr1,RIE,7.326066305762791, +DUD-AD,LightGBM_Ranker,fgfr1,AUPRC,0.3295669722069857, +DUD-AD,LightGBM_Ranker,fgfr1,accuracy,0.5170807453416149, +DUD-AD,LightGBM_Ranker,fgfr1,F1 score,0.0771513353115727, +DUD-AD,LightGBM_Ranker,fgfr1,recall,0.8666666666666667, +DUD-AD,LightGBM_Ranker,fgfr1,precision,0.040372670807453416, +DUD-AD,LightGBM_Ranker,fgfr1,MCC,0.11324570320845526, DUD-AD,RandomForest,gcr,AUROC,0.9503328112764291, DUD-AD,RandomForest,gcr,BEDROC,0.7976725946884102, DUD-AD,RandomForest,gcr,Enrichment factor 1%,28.22142857142857, DUD-AD,RandomForest,gcr,Enrichment factor 5%,15.464772727272727, DUD-AD,RandomForest,gcr,RIE,11.956583139430455, -DUD-AD,RandomForest,gcr,AUPRC,0.7019870000024713, +DUD-AD,RandomForest,gcr,AUPRC,0.7019870000024714, DUD-AD,RandomForest,gcr,accuracy,0.9817767653758542, DUD-AD,RandomForest,gcr,F1 score,0.6129032258064516, DUD-AD,RandomForest,gcr,recall,0.475, @@ -2821,12 +4521,29 @@ DUD-AD,LogisticRegression,gcr,F1 score,0.676056338028169, DUD-AD,LogisticRegression,gcr,recall,0.6, DUD-AD,LogisticRegression,gcr,precision,0.7741935483870968, DUD-AD,LogisticRegression,gcr,MCC,0.6729602544885285, -DUD-AD,SimilaritySearch,gcr,AUROC,0.566523101018011, -DUD-AD,SimilaritySearch,gcr,BEDROC,0.2704412339033418, -DUD-AD,SimilaritySearch,gcr,Enrichment factor 1%,14.110714285714286, -DUD-AD,SimilaritySearch,gcr,Enrichment factor 5%,4.489772727272728, -DUD-AD,SimilaritySearch,gcr,RIE,4.053734764023969, -DUD-AD,SimilaritySearch,gcr,AUPRC,0.1629470741878317, +DUD-AD,SimilaritySearch_Mean,gcr,AUROC,0.566523101018011, +DUD-AD,SimilaritySearch_Mean,gcr,BEDROC,0.2704412339033418, +DUD-AD,SimilaritySearch_Mean,gcr,Enrichment factor 1%,14.110714285714286, +DUD-AD,SimilaritySearch_Mean,gcr,Enrichment factor 5%,4.489772727272728, +DUD-AD,SimilaritySearch_Mean,gcr,RIE,4.053734764023969, +DUD-AD,SimilaritySearch_Mean,gcr,AUPRC,0.1629470741878317, +DUD-AD,SimilaritySearch_Max,gcr,AUROC,0.8742854346123727, +DUD-AD,SimilaritySearch_Max,gcr,BEDROC,0.6680012406790263, +DUD-AD,SimilaritySearch_Max,gcr,Enrichment factor 1%,16.4625, +DUD-AD,SimilaritySearch_Max,gcr,Enrichment factor 5%,13.469318181818181, +DUD-AD,SimilaritySearch_Max,gcr,RIE,10.01289555634759, +DUD-AD,SimilaritySearch_Max,gcr,AUPRC,0.4258928709297352, +DUD-AD,LightGBM_Ranker,gcr,AUROC,0.8096613155833986, +DUD-AD,LightGBM_Ranker,gcr,BEDROC,0.41479860245282757, +DUD-AD,LightGBM_Ranker,gcr,Enrichment factor 1%,14.110714285714286, +DUD-AD,LightGBM_Ranker,gcr,Enrichment factor 5%,7.482954545454545, +DUD-AD,LightGBM_Ranker,gcr,RIE,6.217555963545392, +DUD-AD,LightGBM_Ranker,gcr,AUPRC,0.2626820835474134, +DUD-AD,LightGBM_Ranker,gcr,accuracy,0.5216400911161732, +DUD-AD,LightGBM_Ranker,gcr,F1 score,0.09742120343839542, +DUD-AD,LightGBM_Ranker,gcr,recall,0.85, +DUD-AD,LightGBM_Ranker,gcr,precision,0.05167173252279635, +DUD-AD,LightGBM_Ranker,gcr,MCC,0.12402337436951089, DUD-AD,RandomForest,gria2,AUROC,0.9838190476190476, DUD-AD,RandomForest,gria2,BEDROC,0.8950479280788894, DUD-AD,RandomForest,gria2,Enrichment factor 1%,28.395604395604394, @@ -2849,12 +4566,29 @@ DUD-AD,LogisticRegression,gria2,F1 score,0.5483870967741935, DUD-AD,LogisticRegression,gria2,recall,0.40476190476190477, DUD-AD,LogisticRegression,gria2,precision,0.85, DUD-AD,LogisticRegression,gria2,MCC,0.5780134624239615, -DUD-AD,SimilaritySearch,gria2,AUROC,0.5427428571428571, -DUD-AD,SimilaritySearch,gria2,BEDROC,0.22600416365323386, -DUD-AD,SimilaritySearch,gria2,Enrichment factor 1%,11.83150183150183, -DUD-AD,SimilaritySearch,gria2,Enrichment factor 5%,3.312820512820513, -DUD-AD,SimilaritySearch,gria2,RIE,3.323451855499709, -DUD-AD,SimilaritySearch,gria2,AUPRC,0.10656340008887875, +DUD-AD,SimilaritySearch_Mean,gria2,AUROC,0.5427428571428571, +DUD-AD,SimilaritySearch_Mean,gria2,BEDROC,0.22600416365323386, +DUD-AD,SimilaritySearch_Mean,gria2,Enrichment factor 1%,11.83150183150183, +DUD-AD,SimilaritySearch_Mean,gria2,Enrichment factor 5%,3.312820512820513, +DUD-AD,SimilaritySearch_Mean,gria2,RIE,3.323451855499709, +DUD-AD,SimilaritySearch_Mean,gria2,AUPRC,0.10656340008887875, +DUD-AD,SimilaritySearch_Max,gria2,AUROC,0.7557619047619046, +DUD-AD,SimilaritySearch_Max,gria2,BEDROC,0.6121277912205612, +DUD-AD,SimilaritySearch_Max,gria2,Enrichment factor 1%,23.66300366300366, +DUD-AD,SimilaritySearch_Max,gria2,Enrichment factor 5%,11.358241758241759, +DUD-AD,SimilaritySearch_Max,gria2,RIE,9.001503283075083, +DUD-AD,SimilaritySearch_Max,gria2,AUPRC,0.4581643039822752, +DUD-AD,LightGBM_Ranker,gria2,AUROC,0.8281523809523809, +DUD-AD,LightGBM_Ranker,gria2,BEDROC,0.5319203935856417, +DUD-AD,LightGBM_Ranker,gria2,Enrichment factor 1%,26.02930402930403, +DUD-AD,LightGBM_Ranker,gria2,Enrichment factor 5%,8.991941391941392, +DUD-AD,LightGBM_Ranker,gria2,RIE,7.822032004634218, +DUD-AD,LightGBM_Ranker,gria2,AUPRC,0.39969626432002947, +DUD-AD,LightGBM_Ranker,gria2,accuracy,0.5232198142414861, +DUD-AD,LightGBM_Ranker,gria2,F1 score,0.10465116279069768, +DUD-AD,LightGBM_Ranker,gria2,recall,0.8571428571428571, +DUD-AD,LightGBM_Ranker,gria2,precision,0.05572755417956656, +DUD-AD,LightGBM_Ranker,gria2,MCC,0.13093073414159542, DUD-AD,RandomForest,hdac8,AUROC,0.9612067160741951, DUD-AD,RandomForest,hdac8,BEDROC,0.7808988205223715, DUD-AD,RandomForest,hdac8,Enrichment factor 1%,26.214574898785425, @@ -2877,12 +4611,29 @@ DUD-AD,LogisticRegression,hdac8,F1 score,0.5423728813559322, DUD-AD,LogisticRegression,hdac8,recall,0.42105263157894735, DUD-AD,LogisticRegression,hdac8,precision,0.7619047619047619, DUD-AD,LogisticRegression,hdac8,MCC,0.557287288703575, -DUD-AD,SimilaritySearch,hdac8,AUROC,0.7010425825901268, -DUD-AD,SimilaritySearch,hdac8,BEDROC,0.35539031677011323, -DUD-AD,SimilaritySearch,hdac8,Enrichment factor 1%,20.97165991902834, -DUD-AD,SimilaritySearch,hdac8,Enrichment factor 5%,5.767206477732794, -DUD-AD,SimilaritySearch,hdac8,RIE,5.376659247418682, -DUD-AD,SimilaritySearch,hdac8,AUPRC,0.2771766702441698, +DUD-AD,SimilaritySearch_Mean,hdac8,AUROC,0.7010425825901268, +DUD-AD,SimilaritySearch_Mean,hdac8,BEDROC,0.35539031677011323, +DUD-AD,SimilaritySearch_Mean,hdac8,Enrichment factor 1%,20.97165991902834, +DUD-AD,SimilaritySearch_Mean,hdac8,Enrichment factor 5%,5.767206477732794, +DUD-AD,SimilaritySearch_Mean,hdac8,RIE,5.376659247418682, +DUD-AD,SimilaritySearch_Mean,hdac8,AUPRC,0.2771766702441698, +DUD-AD,SimilaritySearch_Max,hdac8,AUROC,0.8165117447556839, +DUD-AD,SimilaritySearch_Max,hdac8,BEDROC,0.6422727477234076, +DUD-AD,SimilaritySearch_Max,hdac8,Enrichment factor 1%,26.214574898785425, +DUD-AD,SimilaritySearch_Max,hdac8,Enrichment factor 5%,11.010121457489879, +DUD-AD,SimilaritySearch_Max,hdac8,RIE,9.716870520583267, +DUD-AD,SimilaritySearch_Max,hdac8,AUPRC,0.44839064692315656, +DUD-AD,LightGBM_Ranker,hdac8,AUROC,0.9372775614453797, +DUD-AD,LightGBM_Ranker,hdac8,BEDROC,0.5954374329545628, +DUD-AD,LightGBM_Ranker,hdac8,Enrichment factor 1%,20.97165991902834, +DUD-AD,LightGBM_Ranker,hdac8,Enrichment factor 5%,9.437246963562753, +DUD-AD,LightGBM_Ranker,hdac8,RIE,9.008304434934592, +DUD-AD,LightGBM_Ranker,hdac8,AUPRC,0.3897597980221694, +DUD-AD,LightGBM_Ranker,hdac8,accuracy,0.5297297297297298, +DUD-AD,LightGBM_Ranker,hdac8,F1 score,0.11094890510948906, +DUD-AD,LightGBM_Ranker,hdac8,recall,1.0, +DUD-AD,LightGBM_Ranker,hdac8,precision,0.05873261205564142, +DUD-AD,LightGBM_Ranker,hdac8,MCC,0.1740041162381646, DUD-AD,RandomForest,hivrt,AUROC,0.9419862068965518, DUD-AD,RandomForest,hivrt,BEDROC,0.8686255382312359, DUD-AD,RandomForest,hivrt,Enrichment factor 1%,15.367816091954023, @@ -2905,12 +4656,29 @@ DUD-AD,LogisticRegression,hivrt,F1 score,0.6794871794871795, DUD-AD,LogisticRegression,hivrt,recall,0.6091954022988506, DUD-AD,LogisticRegression,hivrt,precision,0.7681159420289855, DUD-AD,LogisticRegression,hivrt,MCC,0.6649128825895083, -DUD-AD,SimilaritySearch,hivrt,AUROC,0.5074942528735632, -DUD-AD,SimilaritySearch,hivrt,BEDROC,0.14685899227083865, -DUD-AD,SimilaritySearch,hivrt,Enrichment factor 1%,4.390804597701149, -DUD-AD,SimilaritySearch,hivrt,Enrichment factor 5%,1.6055927260250473, -DUD-AD,SimilaritySearch,hivrt,RIE,1.6426979767401972, -DUD-AD,SimilaritySearch,hivrt,AUPRC,0.09855464474607023, +DUD-AD,SimilaritySearch_Mean,hivrt,AUROC,0.5074942528735632, +DUD-AD,SimilaritySearch_Mean,hivrt,BEDROC,0.14685899227083865, +DUD-AD,SimilaritySearch_Mean,hivrt,Enrichment factor 1%,4.390804597701149, +DUD-AD,SimilaritySearch_Mean,hivrt,Enrichment factor 5%,1.6055927260250473, +DUD-AD,SimilaritySearch_Mean,hivrt,RIE,1.6426979767401972, +DUD-AD,SimilaritySearch_Mean,hivrt,AUPRC,0.09855464474607023, +DUD-AD,SimilaritySearch_Max,hivrt,AUROC,0.7904091954022989, +DUD-AD,SimilaritySearch_Max,hivrt,BEDROC,0.6761205951910058, +DUD-AD,SimilaritySearch_Max,hivrt,Enrichment factor 1%,15.367816091954023, +DUD-AD,SimilaritySearch_Max,hivrt,Enrichment factor 5%,10.092297135014581, +DUD-AD,SimilaritySearch_Max,hivrt,RIE,7.562777544239238, +DUD-AD,SimilaritySearch_Max,hivrt,AUPRC,0.5625998434604556, +DUD-AD,LightGBM_Ranker,hivrt,AUROC,0.7531862068965518, +DUD-AD,LightGBM_Ranker,hivrt,BEDROC,0.456726608031417, +DUD-AD,LightGBM_Ranker,hivrt,Enrichment factor 1%,10.977011494252874, +DUD-AD,LightGBM_Ranker,hivrt,Enrichment factor 5%,6.651741293532338, +DUD-AD,LightGBM_Ranker,hivrt,RIE,5.1087361903049695, +DUD-AD,LightGBM_Ranker,hivrt,AUPRC,0.32799944421064625, +DUD-AD,LightGBM_Ranker,hivrt,accuracy,0.5415108451757666, +DUD-AD,LightGBM_Ranker,hivrt,F1 score,0.1880794701986755, +DUD-AD,LightGBM_Ranker,hivrt,recall,0.8160919540229885, +DUD-AD,LightGBM_Ranker,hivrt,precision,0.1062874251497006, +DUD-AD,LightGBM_Ranker,hivrt,MCC,0.16697893724970048, DUD-AD,RandomForest,igf1r,AUROC,0.8233933787731256, DUD-AD,RandomForest,igf1r,BEDROC,0.5573240712341668, DUD-AD,RandomForest,igf1r,Enrichment factor 1%,38.16568047337278, @@ -2933,12 +4701,29 @@ DUD-AD,LogisticRegression,igf1r,F1 score,0.4, DUD-AD,LogisticRegression,igf1r,recall,0.2692307692307692, DUD-AD,LogisticRegression,igf1r,precision,0.7777777777777778, DUD-AD,LogisticRegression,igf1r,MCC,0.45188631588840344, -DUD-AD,SimilaritySearch,igf1r,AUROC,0.7105951801363193, -DUD-AD,SimilaritySearch,igf1r,BEDROC,0.3590824794220011, -DUD-AD,SimilaritySearch,igf1r,Enrichment factor 1%,15.266272189349111, -DUD-AD,SimilaritySearch,igf1r,Enrichment factor 5%,6.8698224852071, -DUD-AD,SimilaritySearch,igf1r,RIE,5.910556601716933, -DUD-AD,SimilaritySearch,igf1r,AUPRC,0.1954879738286256, +DUD-AD,SimilaritySearch_Mean,igf1r,AUROC,0.7105951801363193, +DUD-AD,SimilaritySearch_Mean,igf1r,BEDROC,0.3590824794220011, +DUD-AD,SimilaritySearch_Mean,igf1r,Enrichment factor 1%,15.266272189349111, +DUD-AD,SimilaritySearch_Mean,igf1r,Enrichment factor 5%,6.8698224852071, +DUD-AD,SimilaritySearch_Mean,igf1r,RIE,5.910556601716933, +DUD-AD,SimilaritySearch_Mean,igf1r,AUPRC,0.1954879738286256, +DUD-AD,SimilaritySearch_Max,igf1r,AUROC,0.7905611002921129, +DUD-AD,SimilaritySearch_Max,igf1r,BEDROC,0.5340399355401596, +DUD-AD,SimilaritySearch_Max,igf1r,Enrichment factor 1%,38.16568047337278, +DUD-AD,SimilaritySearch_Max,igf1r,Enrichment factor 5%,9.923076923076923, +DUD-AD,SimilaritySearch_Max,igf1r,RIE,8.79038504687163, +DUD-AD,SimilaritySearch_Max,igf1r,AUPRC,0.4588383858734287, +DUD-AD,LightGBM_Ranker,igf1r,AUROC,0.7125121713729309, +DUD-AD,LightGBM_Ranker,igf1r,BEDROC,0.3296287074776727, +DUD-AD,LightGBM_Ranker,igf1r,Enrichment factor 1%,15.266272189349111, +DUD-AD,LightGBM_Ranker,igf1r,Enrichment factor 5%,6.8698224852071, +DUD-AD,LightGBM_Ranker,igf1r,RIE,5.425742680982446, +DUD-AD,LightGBM_Ranker,igf1r,AUPRC,0.20438751807294794, +DUD-AD,LightGBM_Ranker,igf1r,accuracy,0.5093023255813953, +DUD-AD,LightGBM_Ranker,igf1r,F1 score,0.05663189269746647, +DUD-AD,LightGBM_Ranker,igf1r,recall,0.7307692307692307, +DUD-AD,LightGBM_Ranker,igf1r,precision,0.02945736434108527, +DUD-AD,LightGBM_Ranker,igf1r,MCC,0.06619436724610317, DUD-AD,RandomForest,jak2,AUROC,0.8859087269815852, DUD-AD,RandomForest,jak2,BEDROC,0.7163039240042659, DUD-AD,RandomForest,jak2,Enrichment factor 1%,34.93796526054591, @@ -2961,13 +4746,30 @@ DUD-AD,LogisticRegression,jak2,F1 score,0.5714285714285714, DUD-AD,LogisticRegression,jak2,recall,0.5806451612903226, DUD-AD,LogisticRegression,jak2,precision,0.5625, DUD-AD,LogisticRegression,jak2,MCC,0.5606926360926551, -DUD-AD,SimilaritySearch,jak2,AUROC,0.7504067770345307, -DUD-AD,SimilaritySearch,jak2,BEDROC,0.21915536644686787, -DUD-AD,SimilaritySearch,jak2,Enrichment factor 1%,6.352357320099256, -DUD-AD,SimilaritySearch,jak2,Enrichment factor 5%,3.225806451612903, -DUD-AD,SimilaritySearch,jak2,RIE,3.4740712524756963, -DUD-AD,SimilaritySearch,jak2,AUPRC,0.10398728466391297, -DUD-AD,RandomForest,kit,AUROC,0.8744004311506333, +DUD-AD,SimilaritySearch_Mean,jak2,AUROC,0.7504067770345307, +DUD-AD,SimilaritySearch_Mean,jak2,BEDROC,0.21915536644686787, +DUD-AD,SimilaritySearch_Mean,jak2,Enrichment factor 1%,6.352357320099256, +DUD-AD,SimilaritySearch_Mean,jak2,Enrichment factor 5%,3.225806451612903, +DUD-AD,SimilaritySearch_Mean,jak2,RIE,3.4740712524756963, +DUD-AD,SimilaritySearch_Mean,jak2,AUPRC,0.10398728466391297, +DUD-AD,SimilaritySearch_Max,jak2,AUROC,0.8376378522172576, +DUD-AD,SimilaritySearch_Max,jak2,BEDROC,0.5040952758052256, +DUD-AD,SimilaritySearch_Max,jak2,Enrichment factor 1%,25.409429280397024, +DUD-AD,SimilaritySearch_Max,jak2,Enrichment factor 5%,8.387096774193548, +DUD-AD,SimilaritySearch_Max,jak2,RIE,7.990965128826436, +DUD-AD,SimilaritySearch_Max,jak2,AUPRC,0.37593118208557164, +DUD-AD,LightGBM_Ranker,jak2,AUROC,0.7473591776647124, +DUD-AD,LightGBM_Ranker,jak2,BEDROC,0.3661875618133046, +DUD-AD,LightGBM_Ranker,jak2,Enrichment factor 1%,15.88089330024814, +DUD-AD,LightGBM_Ranker,jak2,Enrichment factor 5%,5.806451612903226, +DUD-AD,LightGBM_Ranker,jak2,RIE,5.804839253253765, +DUD-AD,LightGBM_Ranker,jak2,AUPRC,0.21519205535070346, +DUD-AD,LightGBM_Ranker,jak2,accuracy,0.51484375, +DUD-AD,LightGBM_Ranker,jak2,F1 score,0.07451564828614009, +DUD-AD,LightGBM_Ranker,jak2,recall,0.8064516129032258, +DUD-AD,LightGBM_Ranker,jak2,precision,0.0390625, +DUD-AD,LightGBM_Ranker,jak2,MCC,0.09655872773903004, +DUD-AD,RandomForest,kit,AUROC,0.8744004311506332, DUD-AD,RandomForest,kit,BEDROC,0.6057957691331685, DUD-AD,RandomForest,kit,Enrichment factor 1%,19.723076923076924, DUD-AD,RandomForest,kit,Enrichment factor 5%,10.08068376068376, @@ -2989,12 +4791,29 @@ DUD-AD,LogisticRegression,kit,F1 score,0.38596491228070173, DUD-AD,LogisticRegression,kit,recall,0.24444444444444444, DUD-AD,LogisticRegression,kit,precision,0.9166666666666666, DUD-AD,LogisticRegression,kit,MCC,0.4656291382095337, -DUD-AD,SimilaritySearch,kit,AUROC,0.7599928141561124, -DUD-AD,SimilaritySearch,kit,BEDROC,0.2501017525847009, -DUD-AD,SimilaritySearch,kit,Enrichment factor 1%,6.574358974358975, -DUD-AD,SimilaritySearch,kit,Enrichment factor 5%,3.9446153846153846, -DUD-AD,SimilaritySearch,kit,RIE,3.5940592428029494, -DUD-AD,SimilaritySearch,kit,AUPRC,0.11504126864700467, +DUD-AD,SimilaritySearch_Mean,kit,AUROC,0.7599928141561124, +DUD-AD,SimilaritySearch_Mean,kit,BEDROC,0.2501017525847009, +DUD-AD,SimilaritySearch_Mean,kit,Enrichment factor 1%,6.574358974358975, +DUD-AD,SimilaritySearch_Mean,kit,Enrichment factor 5%,3.9446153846153846, +DUD-AD,SimilaritySearch_Mean,kit,RIE,3.5940592428029494, +DUD-AD,SimilaritySearch_Mean,kit,AUPRC,0.11504126864700467, +DUD-AD,SimilaritySearch_Max,kit,AUROC,0.8519446690020659, +DUD-AD,SimilaritySearch_Max,kit,BEDROC,0.46449991638028326, +DUD-AD,SimilaritySearch_Max,kit,Enrichment factor 1%,15.340170940170939, +DUD-AD,SimilaritySearch_Max,kit,Enrichment factor 5%,8.327521367521367, +DUD-AD,SimilaritySearch_Max,kit,RIE,6.675044007811618, +DUD-AD,SimilaritySearch_Max,kit,AUPRC,0.26121006147532144, +DUD-AD,LightGBM_Ranker,kit,AUROC,0.7952573430342225, +DUD-AD,LightGBM_Ranker,kit,BEDROC,0.3978529390889603, +DUD-AD,LightGBM_Ranker,kit,Enrichment factor 1%,13.14871794871795, +DUD-AD,LightGBM_Ranker,kit,Enrichment factor 5%,6.574358974358975, +DUD-AD,LightGBM_Ranker,kit,RIE,5.7173010960569055, +DUD-AD,LightGBM_Ranker,kit,AUPRC,0.25725609587600134, +DUD-AD,LightGBM_Ranker,kit,accuracy,0.5273010920436817, +DUD-AD,LightGBM_Ranker,kit,F1 score,0.11661807580174927, +DUD-AD,LightGBM_Ranker,kit,recall,0.8888888888888888, +DUD-AD,LightGBM_Ranker,kit,precision,0.062402496099843996, +DUD-AD,LightGBM_Ranker,kit,MCC,0.14834637476391518, DUD-AD,RandomForest,kpcb,AUROC,0.9310110064677182, DUD-AD,RandomForest,kpcb,BEDROC,0.7848116064537421, DUD-AD,RandomForest,kpcb,Enrichment factor 1%,38.892857142857146, @@ -3017,12 +4836,29 @@ DUD-AD,LogisticRegression,kpcb,F1 score,0.47619047619047616, DUD-AD,LogisticRegression,kpcb,recall,0.35714285714285715, DUD-AD,LogisticRegression,kpcb,precision,0.7142857142857143, DUD-AD,LogisticRegression,kpcb,MCC,0.4978229120327484, -DUD-AD,SimilaritySearch,kpcb,AUROC,0.6195960512878702, -DUD-AD,SimilaritySearch,kpcb,BEDROC,0.4466687259067742, -DUD-AD,SimilaritySearch,kpcb,Enrichment factor 1%,17.678571428571427, -DUD-AD,SimilaritySearch,kpcb,Enrichment factor 5%,9.192857142857141, -DUD-AD,SimilaritySearch,kpcb,RIE,7.243542119085772, -DUD-AD,SimilaritySearch,kpcb,AUPRC,0.24019824072257362, +DUD-AD,SimilaritySearch_Mean,kpcb,AUROC,0.6195960512878702, +DUD-AD,SimilaritySearch_Mean,kpcb,BEDROC,0.4466687259067742, +DUD-AD,SimilaritySearch_Mean,kpcb,Enrichment factor 1%,17.678571428571427, +DUD-AD,SimilaritySearch_Mean,kpcb,Enrichment factor 5%,9.192857142857141, +DUD-AD,SimilaritySearch_Mean,kpcb,RIE,7.243542119085772, +DUD-AD,SimilaritySearch_Mean,kpcb,AUPRC,0.24019824072257362, +DUD-AD,SimilaritySearch_Max,kpcb,AUROC,0.8473278111880177, +DUD-AD,SimilaritySearch_Max,kpcb,BEDROC,0.6341467404144723, +DUD-AD,SimilaritySearch_Max,kpcb,Enrichment factor 1%,38.892857142857146, +DUD-AD,SimilaritySearch_Max,kpcb,Enrichment factor 5%,12.728571428571428, +DUD-AD,SimilaritySearch_Max,kpcb,RIE,10.283837546193459, +DUD-AD,SimilaritySearch_Max,kpcb,AUPRC,0.5136094317148254, +DUD-AD,LightGBM_Ranker,kpcb,AUROC,0.7385680245092476, +DUD-AD,LightGBM_Ranker,kpcb,BEDROC,0.5034300164657282, +DUD-AD,LightGBM_Ranker,kpcb,Enrichment factor 1%,28.285714285714285, +DUD-AD,LightGBM_Ranker,kpcb,Enrichment factor 5%,9.9, +DUD-AD,LightGBM_Ranker,kpcb,RIE,8.164029209672238, +DUD-AD,LightGBM_Ranker,kpcb,AUPRC,0.3797792941361544, +DUD-AD,LightGBM_Ranker,kpcb,accuracy,0.5112665112665112, +DUD-AD,LightGBM_Ranker,kpcb,F1 score,0.06259314456035768, +DUD-AD,LightGBM_Ranker,kpcb,recall,0.75, +DUD-AD,LightGBM_Ranker,kpcb,precision,0.03265940902021773, +DUD-AD,LightGBM_Ranker,kpcb,MCC,0.07468109145784521, DUD-AD,RandomForest,lck,AUROC,0.9106451836383249, DUD-AD,RandomForest,lck,BEDROC,0.7540245228987897, DUD-AD,RandomForest,lck,Enrichment factor 1%,14.734177215189874, @@ -3045,13 +4881,30 @@ DUD-AD,LogisticRegression,lck,F1 score,0.46774193548387094, DUD-AD,LogisticRegression,lck,recall,0.3670886075949367, DUD-AD,LogisticRegression,lck,precision,0.6444444444444445, DUD-AD,LogisticRegression,lck,MCC,0.46368495623938055, -DUD-AD,SimilaritySearch,lck,AUROC,0.690986827129581, -DUD-AD,SimilaritySearch,lck,BEDROC,0.22726828292436227, -DUD-AD,SimilaritySearch,lck,Enrichment factor 1%,4.9113924050632916, -DUD-AD,SimilaritySearch,lck,Enrichment factor 5%,2.7807148175725986, -DUD-AD,SimilaritySearch,lck,RIE,2.6862618403593785, -DUD-AD,SimilaritySearch,lck,AUPRC,0.14224118361762472, -DUD-AD,RandomForest,mapk2,AUROC,0.9691252793878091, +DUD-AD,SimilaritySearch_Mean,lck,AUROC,0.690986827129581, +DUD-AD,SimilaritySearch_Mean,lck,BEDROC,0.22726828292436227, +DUD-AD,SimilaritySearch_Mean,lck,Enrichment factor 1%,4.9113924050632916, +DUD-AD,SimilaritySearch_Mean,lck,Enrichment factor 5%,2.7807148175725986, +DUD-AD,SimilaritySearch_Mean,lck,RIE,2.6862618403593785, +DUD-AD,SimilaritySearch_Mean,lck,AUPRC,0.14224118361762472, +DUD-AD,SimilaritySearch_Max,lck,AUROC,0.8404558545540919, +DUD-AD,SimilaritySearch_Max,lck,BEDROC,0.5740543387371557, +DUD-AD,SimilaritySearch_Max,lck,Enrichment factor 1%,9.822784810126583, +DUD-AD,SimilaritySearch_Max,lck,Enrichment factor 5%,8.594936708860759, +DUD-AD,SimilaritySearch_Max,lck,RIE,6.785197729995052, +DUD-AD,SimilaritySearch_Max,lck,AUPRC,0.38644944128663794, +DUD-AD,LightGBM_Ranker,lck,AUROC,0.7046990825506476, +DUD-AD,LightGBM_Ranker,lck,BEDROC,0.33978882399958416, +DUD-AD,LightGBM_Ranker,lck,Enrichment factor 1%,11.050632911392405, +DUD-AD,LightGBM_Ranker,lck,Enrichment factor 5%,4.0446760982874155, +DUD-AD,LightGBM_Ranker,lck,RIE,4.016230206744418, +DUD-AD,LightGBM_Ranker,lck,AUPRC,0.23387920013054597, +DUD-AD,LightGBM_Ranker,lck,accuracy,0.5287187039764359, +DUD-AD,LightGBM_Ranker,lck,F1 score,0.15567282321899736, +DUD-AD,LightGBM_Ranker,lck,recall,0.7468354430379747, +DUD-AD,LightGBM_Ranker,lck,precision,0.08689248895434462, +DUD-AD,LightGBM_Ranker,lck,MCC,0.12269187094913517, +DUD-AD,RandomForest,mapk2,AUROC,0.9691252793878092, DUD-AD,RandomForest,mapk2,BEDROC,0.8585670643728657, DUD-AD,RandomForest,mapk2,Enrichment factor 1%,56.175824175824175, DUD-AD,RandomForest,mapk2,Enrichment factor 5%,18.066964285714285, @@ -3073,13 +4926,30 @@ DUD-AD,LogisticRegression,mapk2,F1 score,0.45161290322580644, DUD-AD,LogisticRegression,mapk2,recall,0.3333333333333333, DUD-AD,LogisticRegression,mapk2,precision,0.7, DUD-AD,LogisticRegression,mapk2,MCC,0.4775025689061017, -DUD-AD,SimilaritySearch,mapk2,AUROC,0.732166534075842, -DUD-AD,SimilaritySearch,mapk2,BEDROC,0.33426854528794353, -DUD-AD,SimilaritySearch,mapk2,Enrichment factor 1%,14.043956043956044, -DUD-AD,SimilaritySearch,mapk2,Enrichment factor 5%,6.65625, -DUD-AD,SimilaritySearch,mapk2,RIE,5.69790488845667, -DUD-AD,SimilaritySearch,mapk2,AUPRC,0.15454580485245384, -DUD-AD,RandomForest,mcr,AUROC,0.97577774986392, +DUD-AD,SimilaritySearch_Mean,mapk2,AUROC,0.732166534075842, +DUD-AD,SimilaritySearch_Mean,mapk2,BEDROC,0.33426854528794353, +DUD-AD,SimilaritySearch_Mean,mapk2,Enrichment factor 1%,14.043956043956044, +DUD-AD,SimilaritySearch_Mean,mapk2,Enrichment factor 5%,6.65625, +DUD-AD,SimilaritySearch_Mean,mapk2,RIE,5.69790488845667, +DUD-AD,SimilaritySearch_Mean,mapk2,AUPRC,0.15454580485245384, +DUD-AD,SimilaritySearch_Max,mapk2,AUROC,0.9384399742394969, +DUD-AD,SimilaritySearch_Max,mapk2,BEDROC,0.7462430072206918, +DUD-AD,SimilaritySearch_Max,mapk2,Enrichment factor 1%,46.81318681318682, +DUD-AD,SimilaritySearch_Max,mapk2,Enrichment factor 5%,15.214285714285714, +DUD-AD,SimilaritySearch_Max,mapk2,RIE,12.720376232381097, +DUD-AD,SimilaritySearch_Max,mapk2,AUPRC,0.52843973300749, +DUD-AD,LightGBM_Ranker,mapk2,AUROC,0.6597340606887147, +DUD-AD,LightGBM_Ranker,mapk2,BEDROC,0.3704938244679169, +DUD-AD,LightGBM_Ranker,mapk2,Enrichment factor 1%,18.725274725274726, +DUD-AD,LightGBM_Ranker,mapk2,Enrichment factor 5%,6.65625, +DUD-AD,LightGBM_Ranker,mapk2,RIE,6.315397011083807, +DUD-AD,LightGBM_Ranker,mapk2,AUPRC,0.2492594028061546, +DUD-AD,LightGBM_Ranker,mapk2,accuracy,0.5039123630672926, +DUD-AD,LightGBM_Ranker,mapk2,F1 score,0.03939393939393939, +DUD-AD,LightGBM_Ranker,mapk2,recall,0.6190476190476191, +DUD-AD,LightGBM_Ranker,mapk2,precision,0.02034428794992175, +DUD-AD,LightGBM_Ranker,mapk2,MCC,0.03077462135254234, +DUD-AD,RandomForest,mcr,AUROC,0.9757777498639199, DUD-AD,RandomForest,mcr,BEDROC,0.8303114248307603, DUD-AD,RandomForest,mcr,Enrichment factor 1%,51.659919028340084, DUD-AD,RandomForest,mcr,Enrichment factor 5%,17.838815789473685, @@ -3101,12 +4971,29 @@ DUD-AD,LogisticRegression,mcr,F1 score,0.4827586206896552, DUD-AD,LogisticRegression,mcr,recall,0.3684210526315789, DUD-AD,LogisticRegression,mcr,precision,0.7, DUD-AD,LogisticRegression,mcr,MCC,0.5027470257524711, -DUD-AD,SimilaritySearch,mcr,AUROC,0.7327387681614537, -DUD-AD,SimilaritySearch,mcr,BEDROC,0.3589983987811727, -DUD-AD,SimilaritySearch,mcr,Enrichment factor 1%,30.995951417004047, -DUD-AD,SimilaritySearch,mcr,Enrichment factor 5%,6.296052631578948, -DUD-AD,SimilaritySearch,mcr,RIE,6.209526983774623, -DUD-AD,SimilaritySearch,mcr,AUPRC,0.23844917236374796, +DUD-AD,SimilaritySearch_Mean,mcr,AUROC,0.7327387681614537, +DUD-AD,SimilaritySearch_Mean,mcr,BEDROC,0.3589983987811727, +DUD-AD,SimilaritySearch_Mean,mcr,Enrichment factor 1%,30.995951417004047, +DUD-AD,SimilaritySearch_Mean,mcr,Enrichment factor 5%,6.296052631578948, +DUD-AD,SimilaritySearch_Mean,mcr,RIE,6.209526983774623, +DUD-AD,SimilaritySearch_Mean,mcr,AUPRC,0.23844917236374796, +DUD-AD,SimilaritySearch_Max,mcr,AUROC,0.9410668676464431, +DUD-AD,SimilaritySearch_Max,mcr,BEDROC,0.8126636475688285, +DUD-AD,SimilaritySearch_Max,mcr,Enrichment factor 1%,56.825910931174086, +DUD-AD,SimilaritySearch_Max,mcr,Enrichment factor 5%,16.789473684210527, +DUD-AD,SimilaritySearch_Max,mcr,RIE,14.056488395656642, +DUD-AD,SimilaritySearch_Max,mcr,AUPRC,0.6362903458044701, +DUD-AD,LightGBM_Ranker,mcr,AUROC,0.930494493991542, +DUD-AD,LightGBM_Ranker,mcr,BEDROC,0.6472979861503186, +DUD-AD,LightGBM_Ranker,mcr,Enrichment factor 1%,36.16194331983806, +DUD-AD,LightGBM_Ranker,mcr,Enrichment factor 5%,12.592105263157896, +DUD-AD,LightGBM_Ranker,mcr,RIE,11.196190042478698, +DUD-AD,LightGBM_Ranker,mcr,AUPRC,0.4227773983433488, +DUD-AD,LightGBM_Ranker,mcr,accuracy,0.5133228840125392, +DUD-AD,LightGBM_Ranker,mcr,F1 score,0.0547945205479452, +DUD-AD,LightGBM_Ranker,mcr,recall,0.9473684210526315, +DUD-AD,LightGBM_Ranker,mcr,precision,0.02821316614420063, +DUD-AD,LightGBM_Ranker,mcr,MCC,0.11000298801101727, DUD-AD,RandomForest,met,AUROC,0.9640588796510836, DUD-AD,RandomForest,met,BEDROC,0.893612796614287, DUD-AD,RandomForest,met,Enrichment factor 1%,41.188328912466844, @@ -3129,12 +5016,29 @@ DUD-AD,LogisticRegression,met,F1 score,0.42857142857142855, DUD-AD,LogisticRegression,met,recall,0.3103448275862069, DUD-AD,LogisticRegression,met,precision,0.6923076923076923, DUD-AD,LogisticRegression,met,MCC,0.45592654256941006, -DUD-AD,SimilaritySearch,met,AUROC,0.733406024260597, -DUD-AD,SimilaritySearch,met,BEDROC,0.38048074413258387, -DUD-AD,SimilaritySearch,met,Enrichment factor 1%,20.594164456233422, -DUD-AD,SimilaritySearch,met,Enrichment factor 5%,6.86472148541114, -DUD-AD,SimilaritySearch,met,RIE,6.132842196216839, -DUD-AD,SimilaritySearch,met,AUPRC,0.23172927419179942, +DUD-AD,SimilaritySearch_Mean,met,AUROC,0.733406024260597, +DUD-AD,SimilaritySearch_Mean,met,BEDROC,0.38048074413258387, +DUD-AD,SimilaritySearch_Mean,met,Enrichment factor 1%,20.594164456233422, +DUD-AD,SimilaritySearch_Mean,met,Enrichment factor 5%,6.86472148541114, +DUD-AD,SimilaritySearch_Mean,met,RIE,6.132842196216839, +DUD-AD,SimilaritySearch_Mean,met,AUPRC,0.23172927419179942, +DUD-AD,SimilaritySearch_Max,met,AUROC,0.9436418154559083, +DUD-AD,SimilaritySearch_Max,met,BEDROC,0.7736115084390097, +DUD-AD,SimilaritySearch_Max,met,Enrichment factor 1%,34.323607427055705, +DUD-AD,SimilaritySearch_Max,met,Enrichment factor 5%,15.788859416445622, +DUD-AD,SimilaritySearch_Max,met,RIE,12.469585794158087, +DUD-AD,SimilaritySearch_Max,met,AUPRC,0.553268854433722, +DUD-AD,LightGBM_Ranker,met,AUROC,0.7815728499386672, +DUD-AD,LightGBM_Ranker,met,BEDROC,0.4546625676451754, +DUD-AD,LightGBM_Ranker,met,Enrichment factor 1%,27.45888594164456, +DUD-AD,LightGBM_Ranker,met,Enrichment factor 5%,8.23766578249337, +DUD-AD,LightGBM_Ranker,met,RIE,7.328554254153432, +DUD-AD,LightGBM_Ranker,met,AUPRC,0.3433263089860284, +DUD-AD,LightGBM_Ranker,met,accuracy,0.5115919629057187, +DUD-AD,LightGBM_Ranker,met,F1 score,0.0650887573964497, +DUD-AD,LightGBM_Ranker,met,recall,0.7586206896551724, +DUD-AD,LightGBM_Ranker,met,precision,0.03400309119010819, +DUD-AD,LightGBM_Ranker,met,MCC,0.0783153687846115, DUD-AD,RandomForest,mk01,AUROC,0.8642024377318495, DUD-AD,RandomForest,mk01,BEDROC,0.6556648354780528, DUD-AD,RandomForest,mk01,Enrichment factor 1%,45.697435897435895, @@ -3157,12 +5061,29 @@ DUD-AD,LogisticRegression,mk01,F1 score,0.3157894736842105, DUD-AD,LogisticRegression,mk01,recall,0.2, DUD-AD,LogisticRegression,mk01,precision,0.75, DUD-AD,LogisticRegression,mk01,MCC,0.3840834278237483, -DUD-AD,SimilaritySearch,mk01,AUROC,0.7961314255431903, -DUD-AD,SimilaritySearch,mk01,BEDROC,0.34589520769847276, -DUD-AD,SimilaritySearch,mk01,Enrichment factor 1%,26.112820512820512, -DUD-AD,SimilaritySearch,mk01,Enrichment factor 5%,6.630208333333333, -DUD-AD,SimilaritySearch,mk01,RIE,6.163186660528271, -DUD-AD,SimilaritySearch,mk01,AUPRC,0.19003141442042612, +DUD-AD,SimilaritySearch_Mean,mk01,AUROC,0.7961314255431903, +DUD-AD,SimilaritySearch_Mean,mk01,BEDROC,0.34589520769847276, +DUD-AD,SimilaritySearch_Mean,mk01,Enrichment factor 1%,26.112820512820512, +DUD-AD,SimilaritySearch_Mean,mk01,Enrichment factor 5%,6.630208333333333, +DUD-AD,SimilaritySearch_Mean,mk01,RIE,6.163186660528271, +DUD-AD,SimilaritySearch_Mean,mk01,AUPRC,0.19003141442042612, +DUD-AD,SimilaritySearch_Max,mk01,AUROC,0.8971913089560148, +DUD-AD,SimilaritySearch_Max,mk01,BEDROC,0.6398670828004814, +DUD-AD,SimilaritySearch_Max,mk01,Enrichment factor 1%,45.697435897435895, +DUD-AD,SimilaritySearch_Max,mk01,Enrichment factor 5%,13.260416666666666, +DUD-AD,SimilaritySearch_Max,mk01,RIE,11.401199460963257, +DUD-AD,SimilaritySearch_Max,mk01,AUPRC,0.3272006873911177, +DUD-AD,LightGBM_Ranker,mk01,AUROC,0.7867514573396927, +DUD-AD,LightGBM_Ranker,mk01,BEDROC,0.3653882024098598, +DUD-AD,LightGBM_Ranker,mk01,Enrichment factor 1%,19.584615384615386, +DUD-AD,LightGBM_Ranker,mk01,Enrichment factor 5%,6.630208333333333, +DUD-AD,LightGBM_Ranker,mk01,RIE,6.510514294444361, +DUD-AD,LightGBM_Ranker,mk01,AUPRC,0.21374171276304135, +DUD-AD,LightGBM_Ranker,mk01,accuracy,0.5074626865671642, +DUD-AD,LightGBM_Ranker,mk01,F1 score,0.03686635944700461, +DUD-AD,LightGBM_Ranker,mk01,recall,0.8, +DUD-AD,LightGBM_Ranker,mk01,precision,0.018867924528301886, +DUD-AD,LightGBM_Ranker,mk01,MCC,0.06560318408309335, DUD-AD,RandomForest,mk10,AUROC,0.855680700813444, DUD-AD,RandomForest,mk10,BEDROC,0.6030958484319046, DUD-AD,RandomForest,mk10,Enrichment factor 1%,27.32905982905983, @@ -3185,18 +5106,35 @@ DUD-AD,LogisticRegression,mk10,F1 score,0.2857142857142857, DUD-AD,LogisticRegression,mk10,recall,0.16666666666666666, DUD-AD,LogisticRegression,mk10,precision,1.0, DUD-AD,LogisticRegression,mk10,MCC,0.4034091432955815, -DUD-AD,SimilaritySearch,mk10,AUROC,0.7346697059086439, -DUD-AD,SimilaritySearch,mk10,BEDROC,0.2931290511537905, -DUD-AD,SimilaritySearch,mk10,Enrichment factor 1%,10.931623931623932, -DUD-AD,SimilaritySearch,mk10,Enrichment factor 5%,4.440972222222222, -DUD-AD,SimilaritySearch,mk10,RIE,4.482987101883669, -DUD-AD,SimilaritySearch,mk10,AUPRC,0.1473450213042456, +DUD-AD,SimilaritySearch_Mean,mk10,AUROC,0.7346697059086439, +DUD-AD,SimilaritySearch_Mean,mk10,BEDROC,0.2931290511537905, +DUD-AD,SimilaritySearch_Mean,mk10,Enrichment factor 1%,10.931623931623932, +DUD-AD,SimilaritySearch_Mean,mk10,Enrichment factor 5%,4.440972222222222, +DUD-AD,SimilaritySearch_Mean,mk10,RIE,4.482987101883669, +DUD-AD,SimilaritySearch_Mean,mk10,AUPRC,0.1473450213042456, +DUD-AD,SimilaritySearch_Max,mk10,AUROC,0.817924823455797, +DUD-AD,SimilaritySearch_Max,mk10,BEDROC,0.5091202914909373, +DUD-AD,SimilaritySearch_Max,mk10,Enrichment factor 1%,27.32905982905983, +DUD-AD,SimilaritySearch_Max,mk10,Enrichment factor 5%,8.881944444444445, +DUD-AD,SimilaritySearch_Max,mk10,RIE,7.7862623275405936, +DUD-AD,SimilaritySearch_Max,mk10,AUPRC,0.30739625472312987, +DUD-AD,LightGBM_Ranker,mk10,AUROC,0.7238759274157505, +DUD-AD,LightGBM_Ranker,mk10,BEDROC,0.4450542047051893, +DUD-AD,LightGBM_Ranker,mk10,Enrichment factor 1%,21.863247863247864, +DUD-AD,LightGBM_Ranker,mk10,Enrichment factor 5%,8.326822916666666, +DUD-AD,LightGBM_Ranker,mk10,RIE,6.806463716477423, +DUD-AD,LightGBM_Ranker,mk10,AUPRC,0.32109848808797214, +DUD-AD,LightGBM_Ranker,mk10,accuracy,0.5113369820172009, +DUD-AD,LightGBM_Ranker,mk10,F1 score,0.07407407407407407, +DUD-AD,LightGBM_Ranker,mk10,recall,0.6944444444444444, +DUD-AD,LightGBM_Ranker,mk10,precision,0.03912363067292645, +DUD-AD,LightGBM_Ranker,mk10,MCC,0.0663152827840809, DUD-AD,RandomForest,mk14,AUROC,0.9528912927350428, DUD-AD,RandomForest,mk14,BEDROC,0.8783856204570342, DUD-AD,RandomForest,mk14,Enrichment factor 1%,11.94017094017094, DUD-AD,RandomForest,mk14,Enrichment factor 5%,11.257875457875459, DUD-AD,RandomForest,mk14,RIE,8.523607512306885, -DUD-AD,RandomForest,mk14,AUPRC,0.8186452803274727, +DUD-AD,RandomForest,mk14,AUPRC,0.8186452803274726, DUD-AD,RandomForest,mk14,accuracy,0.9577666428060129, DUD-AD,RandomForest,mk14,F1 score,0.6740331491712708, DUD-AD,RandomForest,mk14,recall,0.5213675213675214, @@ -3213,12 +5151,29 @@ DUD-AD,LogisticRegression,mk14,F1 score,0.5829145728643216, DUD-AD,LogisticRegression,mk14,recall,0.49572649572649574, DUD-AD,LogisticRegression,mk14,precision,0.7073170731707317, DUD-AD,LogisticRegression,mk14,MCC,0.5621148926868172, -DUD-AD,SimilaritySearch,mk14,AUROC,0.7709201388888889, -DUD-AD,SimilaritySearch,mk14,BEDROC,0.303273438363307, -DUD-AD,SimilaritySearch,mk14,Enrichment factor 1%,4.264346764346764, -DUD-AD,SimilaritySearch,mk14,Enrichment factor 5%,2.8997557997557997, -DUD-AD,SimilaritySearch,mk14,RIE,2.9428803918528126, -DUD-AD,SimilaritySearch,mk14,AUPRC,0.21798511171195442, +DUD-AD,SimilaritySearch_Mean,mk14,AUROC,0.7709201388888889, +DUD-AD,SimilaritySearch_Mean,mk14,BEDROC,0.303273438363307, +DUD-AD,SimilaritySearch_Mean,mk14,Enrichment factor 1%,4.264346764346764, +DUD-AD,SimilaritySearch_Mean,mk14,Enrichment factor 5%,2.8997557997557997, +DUD-AD,SimilaritySearch_Mean,mk14,RIE,2.9428803918528126, +DUD-AD,SimilaritySearch_Mean,mk14,AUPRC,0.21798511171195442, +DUD-AD,SimilaritySearch_Max,mk14,AUROC,0.9269798344017094, +DUD-AD,SimilaritySearch_Max,mk14,BEDROC,0.7819193143635245, +DUD-AD,SimilaritySearch_Max,mk14,Enrichment factor 1%,10.234432234432234, +DUD-AD,SimilaritySearch_Max,mk14,Enrichment factor 5%,9.722710622710624, +DUD-AD,SimilaritySearch_Max,mk14,RIE,7.587525566231297, +DUD-AD,SimilaritySearch_Max,mk14,AUPRC,0.6617462419261521, +DUD-AD,LightGBM_Ranker,mk14,AUROC,0.6356637286324787, +DUD-AD,LightGBM_Ranker,mk14,BEDROC,0.3525966442049875, +DUD-AD,LightGBM_Ranker,mk14,Enrichment factor 1%,10.234432234432234, +DUD-AD,LightGBM_Ranker,mk14,Enrichment factor 5%,4.093772893772894, +DUD-AD,LightGBM_Ranker,mk14,RIE,3.4214989311198964, +DUD-AD,LightGBM_Ranker,mk14,AUPRC,0.2587682081311578, +DUD-AD,LightGBM_Ranker,mk14,accuracy,0.5225483178239084, +DUD-AD,LightGBM_Ranker,mk14,F1 score,0.18159509202453988, +DUD-AD,LightGBM_Ranker,mk14,recall,0.6324786324786325, +DUD-AD,LightGBM_Ranker,mk14,precision,0.10601719197707736, +DUD-AD,LightGBM_Ranker,mk14,MCC,0.08032220375076021, DUD-AD,RandomForest,mp2k1,AUROC,0.9095595126522961, DUD-AD,RandomForest,mp2k1,BEDROC,0.7328391562164475, DUD-AD,RandomForest,mp2k1,Enrichment factor 1%,53.83216783216783, @@ -3241,12 +5196,29 @@ DUD-AD,LogisticRegression,mp2k1,F1 score,0.6666666666666666, DUD-AD,LogisticRegression,mp2k1,recall,0.5454545454545454, DUD-AD,LogisticRegression,mp2k1,precision,0.8571428571428571, DUD-AD,LogisticRegression,mp2k1,MCC,0.6796228354405366, -DUD-AD,SimilaritySearch,mp2k1,AUROC,0.47210006488357, -DUD-AD,SimilaritySearch,mp2k1,BEDROC,0.1135285366690787, -DUD-AD,SimilaritySearch,mp2k1,Enrichment factor 1%,8.972027972027972, -DUD-AD,SimilaritySearch,mp2k1,Enrichment factor 5%,1.7944055944055946, -DUD-AD,SimilaritySearch,mp2k1,RIE,1.922168257531545, -DUD-AD,SimilaritySearch,mp2k1,AUPRC,0.10648852514971813, +DUD-AD,SimilaritySearch_Mean,mp2k1,AUROC,0.47210006488357, +DUD-AD,SimilaritySearch_Mean,mp2k1,BEDROC,0.1135285366690787, +DUD-AD,SimilaritySearch_Mean,mp2k1,Enrichment factor 1%,8.972027972027972, +DUD-AD,SimilaritySearch_Mean,mp2k1,Enrichment factor 5%,1.7944055944055946, +DUD-AD,SimilaritySearch_Mean,mp2k1,RIE,1.922168257531545, +DUD-AD,SimilaritySearch_Mean,mp2k1,AUPRC,0.10648852514971813, +DUD-AD,SimilaritySearch_Max,mp2k1,AUROC,0.7479633768293562, +DUD-AD,SimilaritySearch_Max,mp2k1,BEDROC,0.5475803401113569, +DUD-AD,SimilaritySearch_Max,mp2k1,Enrichment factor 1%,31.4020979020979, +DUD-AD,SimilaritySearch_Max,mp2k1,Enrichment factor 5%,10.766433566433566, +DUD-AD,SimilaritySearch_Max,mp2k1,RIE,9.27116263230186, +DUD-AD,SimilaritySearch_Max,mp2k1,AUPRC,0.390644609096909, +DUD-AD,LightGBM_Ranker,mp2k1,AUROC,0.6299113257876144, +DUD-AD,LightGBM_Ranker,mp2k1,BEDROC,0.3897124087365346, +DUD-AD,LightGBM_Ranker,mp2k1,Enrichment factor 1%,26.916083916083917, +DUD-AD,LightGBM_Ranker,mp2k1,Enrichment factor 5%,7.177622377622378, +DUD-AD,LightGBM_Ranker,mp2k1,RIE,6.598277666891321, +DUD-AD,LightGBM_Ranker,mp2k1,AUPRC,0.3212073607689572, +DUD-AD,LightGBM_Ranker,mp2k1,accuracy,0.505066250974279, +DUD-AD,LightGBM_Ranker,mp2k1,F1 score,0.042232277526395176, +DUD-AD,LightGBM_Ranker,mp2k1,recall,0.6363636363636364, +DUD-AD,LightGBM_Ranker,mp2k1,precision,0.0218408736349454, +DUD-AD,LightGBM_Ranker,mp2k1,MCC,0.03612616758036663, DUD-AD,RandomForest,pa2ga,AUROC,0.9446819741356558, DUD-AD,RandomForest,pa2ga,BEDROC,0.791132772285188, DUD-AD,RandomForest,pa2ga,Enrichment factor 1%,58.98461538461538, @@ -3269,12 +5241,29 @@ DUD-AD,LogisticRegression,pa2ga,F1 score,0.8, DUD-AD,LogisticRegression,pa2ga,recall,0.6666666666666666, DUD-AD,LogisticRegression,pa2ga,precision,1.0, DUD-AD,LogisticRegression,pa2ga,MCC,0.8148851789605637, -DUD-AD,SimilaritySearch,pa2ga,AUROC,0.5879651623119556, -DUD-AD,SimilaritySearch,pa2ga,BEDROC,0.42590905501478754, -DUD-AD,SimilaritySearch,pa2ga,Enrichment factor 1%,32.76923076923077, -DUD-AD,SimilaritySearch,pa2ga,Enrichment factor 5%,7.9875, -DUD-AD,SimilaritySearch,pa2ga,RIE,7.592241571732724, -DUD-AD,SimilaritySearch,pa2ga,AUPRC,0.33298138506110664, +DUD-AD,SimilaritySearch_Mean,pa2ga,AUROC,0.5879651623119556, +DUD-AD,SimilaritySearch_Mean,pa2ga,BEDROC,0.42590905501478754, +DUD-AD,SimilaritySearch_Mean,pa2ga,Enrichment factor 1%,32.76923076923077, +DUD-AD,SimilaritySearch_Mean,pa2ga,Enrichment factor 5%,7.9875, +DUD-AD,SimilaritySearch_Mean,pa2ga,RIE,7.592241571732724, +DUD-AD,SimilaritySearch_Mean,pa2ga,AUPRC,0.33298138506110664, +DUD-AD,SimilaritySearch_Max,pa2ga,AUROC,0.835682238057535, +DUD-AD,SimilaritySearch_Max,pa2ga,BEDROC,0.729439814772959, +DUD-AD,SimilaritySearch_Max,pa2ga,Enrichment factor 1%,58.98461538461538, +DUD-AD,SimilaritySearch_Max,pa2ga,Enrichment factor 5%,14.64375, +DUD-AD,SimilaritySearch_Max,pa2ga,RIE,13.002971424265535, +DUD-AD,SimilaritySearch_Max,pa2ga,AUPRC,0.6347523151687469, +DUD-AD,LightGBM_Ranker,pa2ga,AUROC,0.7445764053840065, +DUD-AD,LightGBM_Ranker,pa2ga,BEDROC,0.30676808255071036, +DUD-AD,LightGBM_Ranker,pa2ga,Enrichment factor 1%,26.215384615384615, +DUD-AD,LightGBM_Ranker,pa2ga,Enrichment factor 5%,5.325, +DUD-AD,LightGBM_Ranker,pa2ga,RIE,5.468438314083422, +DUD-AD,LightGBM_Ranker,pa2ga,AUPRC,0.2090406434237524, +DUD-AD,LightGBM_Ranker,pa2ga,accuracy,0.5070422535211268, +DUD-AD,LightGBM_Ranker,pa2ga,F1 score,0.03669724770642202, +DUD-AD,LightGBM_Ranker,pa2ga,recall,0.8, +DUD-AD,LightGBM_Ranker,pa2ga,precision,0.018779342723004695, +DUD-AD,LightGBM_Ranker,pa2ga,MCC,0.06538757100401593, DUD-AD,RandomForest,pgh1,AUROC,0.9320120703764321, DUD-AD,RandomForest,pgh1,BEDROC,0.7723898004043629, DUD-AD,RandomForest,pgh1,Enrichment factor 1%,16.275, @@ -3297,13 +5286,30 @@ DUD-AD,LogisticRegression,pgh1,F1 score,0.4074074074074074, DUD-AD,LogisticRegression,pgh1,recall,0.275, DUD-AD,LogisticRegression,pgh1,precision,0.7857142857142857, DUD-AD,LogisticRegression,pgh1,MCC,0.4471213397850099, -DUD-AD,SimilaritySearch,pgh1,AUROC,0.64050736497545, -DUD-AD,SimilaritySearch,pgh1,BEDROC,0.22773320404746755, -DUD-AD,SimilaritySearch,pgh1,Enrichment factor 1%,3.4875, -DUD-AD,SimilaritySearch,pgh1,Enrichment factor 5%,3.205681818181818, -DUD-AD,SimilaritySearch,pgh1,RIE,2.6218015731061364, -DUD-AD,SimilaritySearch,pgh1,AUPRC,0.12372538301305484, -DUD-AD,RandomForest,pgh2,AUROC,0.9292809328438781, +DUD-AD,SimilaritySearch_Mean,pgh1,AUROC,0.64050736497545, +DUD-AD,SimilaritySearch_Mean,pgh1,BEDROC,0.22773320404746755, +DUD-AD,SimilaritySearch_Mean,pgh1,Enrichment factor 1%,3.4875, +DUD-AD,SimilaritySearch_Mean,pgh1,Enrichment factor 5%,3.205681818181818, +DUD-AD,SimilaritySearch_Mean,pgh1,RIE,2.6218015731061364, +DUD-AD,SimilaritySearch_Mean,pgh1,AUPRC,0.12372538301305484, +DUD-AD,SimilaritySearch_Max,pgh1,AUROC,0.7998465630114567, +DUD-AD,SimilaritySearch_Max,pgh1,BEDROC,0.5598608967560033, +DUD-AD,SimilaritySearch_Max,pgh1,Enrichment factor 1%,13.95, +DUD-AD,SimilaritySearch_Max,pgh1,Enrichment factor 5%,7.644318181818181, +DUD-AD,SimilaritySearch_Max,pgh1,RIE,6.4454551502142365, +DUD-AD,SimilaritySearch_Max,pgh1,AUPRC,0.4250671972640129, +DUD-AD,LightGBM_Ranker,pgh1,AUROC,0.7657272913256956, +DUD-AD,LightGBM_Ranker,pgh1,BEDROC,0.4704041077269926, +DUD-AD,LightGBM_Ranker,pgh1,Enrichment factor 1%,13.95, +DUD-AD,LightGBM_Ranker,pgh1,Enrichment factor 5%,5.918181818181818, +DUD-AD,LightGBM_Ranker,pgh1,RIE,5.4155748394882215, +DUD-AD,LightGBM_Ranker,pgh1,AUPRC,0.36694767732288114, +DUD-AD,LightGBM_Ranker,pgh1,accuracy,0.5353302611367128, +DUD-AD,LightGBM_Ranker,pgh1,F1 score,0.17236662106703146, +DUD-AD,LightGBM_Ranker,pgh1,recall,0.7875, +DUD-AD,LightGBM_Ranker,pgh1,precision,0.0967741935483871, +DUD-AD,LightGBM_Ranker,pgh1,MCC,0.14712186960878706, +DUD-AD,RandomForest,pgh2,AUROC,0.9292809328438782, DUD-AD,RandomForest,pgh2,BEDROC,0.778317960910284, DUD-AD,RandomForest,pgh2,Enrichment factor 1%,11.79220779220779, DUD-AD,RandomForest,pgh2,Enrichment factor 5%,10.567413263065436, @@ -3325,12 +5331,29 @@ DUD-AD,LogisticRegression,pgh2,F1 score,0.5290322580645161, DUD-AD,LogisticRegression,pgh2,recall,0.41414141414141414, DUD-AD,LogisticRegression,pgh2,precision,0.7321428571428571, DUD-AD,LogisticRegression,pgh2,MCC,0.5259758958564585, -DUD-AD,SimilaritySearch,pgh2,AUROC,0.5928485168390156, -DUD-AD,SimilaritySearch,pgh2,BEDROC,0.34675563819479854, -DUD-AD,SimilaritySearch,pgh2,Enrichment factor 1%,8.844155844155845, -DUD-AD,SimilaritySearch,pgh2,Enrichment factor 5%,4.386473429951691, -DUD-AD,SimilaritySearch,pgh2,RIE,3.6556778255225577, -DUD-AD,SimilaritySearch,pgh2,AUPRC,0.22627860864836186, +DUD-AD,SimilaritySearch_Mean,pgh2,AUROC,0.5928485168390156, +DUD-AD,SimilaritySearch_Mean,pgh2,BEDROC,0.34675563819479854, +DUD-AD,SimilaritySearch_Mean,pgh2,Enrichment factor 1%,8.844155844155845, +DUD-AD,SimilaritySearch_Mean,pgh2,Enrichment factor 5%,4.386473429951691, +DUD-AD,SimilaritySearch_Mean,pgh2,RIE,3.6556778255225577, +DUD-AD,SimilaritySearch_Mean,pgh2,AUPRC,0.22627860864836186, +DUD-AD,SimilaritySearch_Max,pgh2,AUROC,0.7818965586186489, +DUD-AD,SimilaritySearch_Max,pgh2,BEDROC,0.6389482043410831, +DUD-AD,SimilaritySearch_Max,pgh2,Enrichment factor 1%,12.774891774891776, +DUD-AD,SimilaritySearch_Max,pgh2,Enrichment factor 5%,8.972332015810277, +DUD-AD,SimilaritySearch_Max,pgh2,RIE,6.736123361275385, +DUD-AD,SimilaritySearch_Max,pgh2,AUPRC,0.4902100578566314, +DUD-AD,LightGBM_Ranker,pgh2,AUROC,0.7236537984756513, +DUD-AD,LightGBM_Ranker,pgh2,BEDROC,0.39906538587139817, +DUD-AD,LightGBM_Ranker,pgh2,Enrichment factor 1%,8.844155844155845, +DUD-AD,LightGBM_Ranker,pgh2,Enrichment factor 5%,5.184014053579271, +DUD-AD,LightGBM_Ranker,pgh2,RIE,4.207154308418655, +DUD-AD,LightGBM_Ranker,pgh2,AUPRC,0.26683306708311805, +DUD-AD,LightGBM_Ranker,pgh2,accuracy,0.5521292217327459, +DUD-AD,LightGBM_Ranker,pgh2,F1 score,0.21794871794871795, +DUD-AD,LightGBM_Ranker,pgh2,recall,0.8585858585858586, +DUD-AD,LightGBM_Ranker,pgh2,precision,0.12481644640234948, +DUD-AD,LightGBM_Ranker,pgh2,MCC,0.20078861134121248, DUD-AD,RandomForest,plk1,AUROC,0.9427928439048376, DUD-AD,RandomForest,plk1,BEDROC,0.8122332917377821, DUD-AD,RandomForest,plk1,Enrichment factor 1%,60.95238095238095, @@ -3353,12 +5376,29 @@ DUD-AD,LogisticRegression,plk1,F1 score,0.5161290322580645, DUD-AD,LogisticRegression,plk1,recall,0.38095238095238093, DUD-AD,LogisticRegression,plk1,precision,0.8, DUD-AD,LogisticRegression,plk1,MCC,0.5473644153528587, -DUD-AD,SimilaritySearch,plk1,AUROC,0.7727221150573017, -DUD-AD,SimilaritySearch,plk1,BEDROC,0.34234882759894175, -DUD-AD,SimilaritySearch,plk1,Enrichment factor 1%,18.754578754578755, -DUD-AD,SimilaritySearch,plk1,Enrichment factor 5%,6.666666666666667, -DUD-AD,SimilaritySearch,plk1,RIE,5.837057102251812, -DUD-AD,SimilaritySearch,plk1,AUPRC,0.2172662444880119, +DUD-AD,SimilaritySearch_Mean,plk1,AUROC,0.7727221150573017, +DUD-AD,SimilaritySearch_Mean,plk1,BEDROC,0.34234882759894175, +DUD-AD,SimilaritySearch_Mean,plk1,Enrichment factor 1%,18.754578754578755, +DUD-AD,SimilaritySearch_Mean,plk1,Enrichment factor 5%,6.666666666666667, +DUD-AD,SimilaritySearch_Mean,plk1,RIE,5.837057102251812, +DUD-AD,SimilaritySearch_Mean,plk1,AUPRC,0.2172662444880119, +DUD-AD,SimilaritySearch_Max,plk1,AUROC,0.8683384394266045, +DUD-AD,SimilaritySearch_Max,plk1,BEDROC,0.6481729808712277, +DUD-AD,SimilaritySearch_Max,plk1,Enrichment factor 1%,42.1978021978022, +DUD-AD,SimilaritySearch_Max,plk1,Enrichment factor 5%,13.333333333333334, +DUD-AD,SimilaritySearch_Max,plk1,RIE,11.051367440325958, +DUD-AD,SimilaritySearch_Max,plk1,AUPRC,0.5275474038490963, +DUD-AD,LightGBM_Ranker,plk1,AUROC,0.8059684556904574, +DUD-AD,LightGBM_Ranker,plk1,BEDROC,0.2822525462192307, +DUD-AD,LightGBM_Ranker,plk1,Enrichment factor 1%,14.065934065934064, +DUD-AD,LightGBM_Ranker,plk1,Enrichment factor 5%,3.8095238095238093, +DUD-AD,LightGBM_Ranker,plk1,RIE,4.812413829556983, +DUD-AD,LightGBM_Ranker,plk1,AUPRC,0.1724877530082868, +DUD-AD,LightGBM_Ranker,plk1,accuracy,0.51328125, +DUD-AD,LightGBM_Ranker,plk1,F1 score,0.057488653555219364, +DUD-AD,LightGBM_Ranker,plk1,recall,0.9047619047619048, +DUD-AD,LightGBM_Ranker,plk1,precision,0.0296875, +DUD-AD,LightGBM_Ranker,plk1,MCC,0.10455057097836488, DUD-AD,RandomForest,ppard,AUROC,0.9749019607843138, DUD-AD,RandomForest,ppard,BEDROC,0.8215358132897886, DUD-AD,RandomForest,ppard,Enrichment factor 1%,34.55263157894737, @@ -3381,13 +5421,30 @@ DUD-AD,LogisticRegression,ppard,F1 score,0.6875, DUD-AD,LogisticRegression,ppard,recall,0.5789473684210527, DUD-AD,LogisticRegression,ppard,precision,0.8461538461538461, DUD-AD,LogisticRegression,ppard,MCC,0.692867565786359, -DUD-AD,SimilaritySearch,ppard,AUROC,0.8812383900928794, -DUD-AD,SimilaritySearch,ppard,BEDROC,0.55277433551866, -DUD-AD,SimilaritySearch,ppard,Enrichment factor 1%,17.276315789473685, -DUD-AD,SimilaritySearch,ppard,Enrichment factor 5%,9.946969696969697, -DUD-AD,SimilaritySearch,ppard,RIE,8.393306574593835, -DUD-AD,SimilaritySearch,ppard,AUPRC,0.3356980896762647, -DUD-AD,RandomForest,pparg,AUROC,0.9688491924420991, +DUD-AD,SimilaritySearch_Mean,ppard,AUROC,0.8812383900928794, +DUD-AD,SimilaritySearch_Mean,ppard,BEDROC,0.55277433551866, +DUD-AD,SimilaritySearch_Mean,ppard,Enrichment factor 1%,17.276315789473685, +DUD-AD,SimilaritySearch_Mean,ppard,Enrichment factor 5%,9.946969696969697, +DUD-AD,SimilaritySearch_Mean,ppard,RIE,8.393306574593835, +DUD-AD,SimilaritySearch_Mean,ppard,AUPRC,0.3356980896762647, +DUD-AD,SimilaritySearch_Max,ppard,AUROC,0.944014447884417, +DUD-AD,SimilaritySearch_Max,ppard,BEDROC,0.770590357340786, +DUD-AD,SimilaritySearch_Max,ppard,Enrichment factor 1%,34.55263157894737, +DUD-AD,SimilaritySearch_Max,ppard,Enrichment factor 5%,15.182216905901115, +DUD-AD,SimilaritySearch_Max,ppard,RIE,11.700617566402498, +DUD-AD,SimilaritySearch_Max,ppard,AUPRC,0.674725050754057, +DUD-AD,LightGBM_Ranker,ppard,AUROC,0.8769453044375646, +DUD-AD,LightGBM_Ranker,ppard,BEDROC,0.5088980094082635, +DUD-AD,LightGBM_Ranker,ppard,Enrichment factor 1%,22.212406015037594, +DUD-AD,LightGBM_Ranker,ppard,Enrichment factor 5%,7.8528708133971294, +DUD-AD,LightGBM_Ranker,ppard,RIE,7.727089946399247, +DUD-AD,LightGBM_Ranker,ppard,AUPRC,0.36173709118165187, +DUD-AD,LightGBM_Ranker,ppard,accuracy,0.5262757044935262, +DUD-AD,LightGBM_Ranker,ppard,F1 score,0.1037463976945245, +DUD-AD,LightGBM_Ranker,ppard,recall,0.9473684210526315, +DUD-AD,LightGBM_Ranker,ppard,precision,0.054878048780487805, +DUD-AD,LightGBM_Ranker,ppard,MCC,0.1545972177009264, +DUD-AD,RandomForest,pparg,AUROC,0.968849192442099, DUD-AD,RandomForest,pparg,BEDROC,0.8577954413497069, DUD-AD,RandomForest,pparg,Enrichment factor 1%,17.844155844155843, DUD-AD,RandomForest,pparg,Enrichment factor 5%,14.22360248447205, @@ -3409,12 +5466,29 @@ DUD-AD,LogisticRegression,pparg,F1 score,0.6527777777777778, DUD-AD,LogisticRegression,pparg,recall,0.6103896103896104, DUD-AD,LogisticRegression,pparg,precision,0.7014925373134329, DUD-AD,LogisticRegression,pparg,MCC,0.6353818323175153, -DUD-AD,SimilaritySearch,pparg,AUROC,0.7617679159699206, -DUD-AD,SimilaritySearch,pparg,BEDROC,0.4356303220555971, -DUD-AD,SimilaritySearch,pparg,Enrichment factor 1%,8.922077922077921, -DUD-AD,SimilaritySearch,pparg,Enrichment factor 5%,6.465273856578205, -DUD-AD,SimilaritySearch,pparg,RIE,5.239200603735528, -DUD-AD,SimilaritySearch,pparg,AUPRC,0.2805150784699359, +DUD-AD,SimilaritySearch_Mean,pparg,AUROC,0.7617679159699206, +DUD-AD,SimilaritySearch_Mean,pparg,BEDROC,0.4356303220555971, +DUD-AD,SimilaritySearch_Mean,pparg,Enrichment factor 1%,8.922077922077921, +DUD-AD,SimilaritySearch_Mean,pparg,Enrichment factor 5%,6.465273856578205, +DUD-AD,SimilaritySearch_Mean,pparg,RIE,5.239200603735528, +DUD-AD,SimilaritySearch_Mean,pparg,AUPRC,0.2805150784699359, +DUD-AD,SimilaritySearch_Max,pparg,AUROC,0.9012155924260783, +DUD-AD,SimilaritySearch_Max,pparg,BEDROC,0.7918375025342398, +DUD-AD,SimilaritySearch_Max,pparg,Enrichment factor 1%,12.745825602968461, +DUD-AD,SimilaritySearch_Max,pparg,Enrichment factor 5%,13.189158667419537, +DUD-AD,SimilaritySearch_Max,pparg,RIE,9.523201862251623, +DUD-AD,SimilaritySearch_Max,pparg,AUPRC,0.6383789644911754, +DUD-AD,LightGBM_Ranker,pparg,AUROC,0.9007149365669027, +DUD-AD,LightGBM_Ranker,pparg,BEDROC,0.6360784525862756, +DUD-AD,LightGBM_Ranker,pparg,Enrichment factor 1%,16.569573283858997, +DUD-AD,LightGBM_Ranker,pparg,Enrichment factor 5%,9.309994353472614, +DUD-AD,LightGBM_Ranker,pparg,RIE,7.649932589280418, +DUD-AD,LightGBM_Ranker,pparg,AUPRC,0.532055182663594, +DUD-AD,LightGBM_Ranker,pparg,accuracy,0.5502183406113537, +DUD-AD,LightGBM_Ranker,pparg,F1 score,0.19109947643979058, +DUD-AD,LightGBM_Ranker,pparg,recall,0.948051948051948, +DUD-AD,LightGBM_Ranker,pparg,precision,0.10625909752547306, +DUD-AD,LightGBM_Ranker,pparg,MCC,0.21834021826198902, DUD-AD,RandomForest,prgr,AUROC,0.9555804404628593, DUD-AD,RandomForest,prgr,BEDROC,0.8442408296563967, DUD-AD,RandomForest,prgr,Enrichment factor 1%,23.263157894736842, @@ -3437,12 +5511,29 @@ DUD-AD,LogisticRegression,prgr,F1 score,0.49382716049382713, DUD-AD,LogisticRegression,prgr,recall,0.3508771929824561, DUD-AD,LogisticRegression,prgr,precision,0.8333333333333334, DUD-AD,LogisticRegression,prgr,MCC,0.5290456800747816, -DUD-AD,SimilaritySearch,prgr,AUROC,0.7654873985594404, -DUD-AD,SimilaritySearch,prgr,BEDROC,0.4267627375931606, -DUD-AD,SimilaritySearch,prgr,Enrichment factor 1%,9.969924812030076, -DUD-AD,SimilaritySearch,prgr,Enrichment factor 5%,6.597014925373134, -DUD-AD,SimilaritySearch,prgr,RIE,5.725619041551853, -DUD-AD,SimilaritySearch,prgr,AUPRC,0.2521631487421356, +DUD-AD,SimilaritySearch_Mean,prgr,AUROC,0.7654873985594404, +DUD-AD,SimilaritySearch_Mean,prgr,BEDROC,0.4267627375931606, +DUD-AD,SimilaritySearch_Mean,prgr,Enrichment factor 1%,9.969924812030076, +DUD-AD,SimilaritySearch_Mean,prgr,Enrichment factor 5%,6.597014925373134, +DUD-AD,SimilaritySearch_Mean,prgr,RIE,5.725619041551853, +DUD-AD,SimilaritySearch_Mean,prgr,AUPRC,0.2521631487421356, +DUD-AD,SimilaritySearch_Max,prgr,AUROC,0.9069580965810902, +DUD-AD,SimilaritySearch_Max,prgr,BEDROC,0.7342436718855989, +DUD-AD,SimilaritySearch_Max,prgr,Enrichment factor 1%,18.278195488721806, +DUD-AD,SimilaritySearch_Max,prgr,Enrichment factor 5%,13.194029850746269, +DUD-AD,SimilaritySearch_Max,prgr,RIE,9.850905804261492, +DUD-AD,SimilaritySearch_Max,prgr,AUPRC,0.6084677660005807, +DUD-AD,LightGBM_Ranker,prgr,AUROC,0.7624804722602407, +DUD-AD,LightGBM_Ranker,prgr,BEDROC,0.37730429024005135, +DUD-AD,LightGBM_Ranker,prgr,Enrichment factor 1%,9.969924812030076, +DUD-AD,LightGBM_Ranker,prgr,Enrichment factor 5%,6.24980361351139, +DUD-AD,LightGBM_Ranker,prgr,RIE,5.062064799922339, +DUD-AD,LightGBM_Ranker,prgr,AUPRC,0.2318904629291786, +DUD-AD,LightGBM_Ranker,prgr,accuracy,0.5279034690799397, +DUD-AD,LightGBM_Ranker,prgr,F1 score,0.13055555555555556, +DUD-AD,LightGBM_Ranker,prgr,recall,0.8245614035087719, +DUD-AD,LightGBM_Ranker,prgr,precision,0.07088989441930618, +DUD-AD,LightGBM_Ranker,prgr,MCC,0.13757308784544123, DUD-AD,RandomForest,ptn1,AUROC,0.9512625193962477, DUD-AD,RandomForest,ptn1,BEDROC,0.7638427857859164, DUD-AD,RandomForest,ptn1,Enrichment factor 1%,37.794117647058826, @@ -3465,12 +5556,29 @@ DUD-AD,LogisticRegression,ptn1,F1 score,0.3333333333333333, DUD-AD,LogisticRegression,ptn1,recall,0.20588235294117646, DUD-AD,LogisticRegression,ptn1,precision,0.875, DUD-AD,LogisticRegression,ptn1,MCC,0.41846324354060765, -DUD-AD,SimilaritySearch,ptn1,AUROC,0.655334555884704, -DUD-AD,SimilaritySearch,ptn1,BEDROC,0.16377747813335786, -DUD-AD,SimilaritySearch,ptn1,Enrichment factor 1%,5.8144796380090495, -DUD-AD,SimilaritySearch,ptn1,Enrichment factor 5%,2.32579185520362, -DUD-AD,SimilaritySearch,ptn1,RIE,2.5434851251952058, -DUD-AD,SimilaritySearch,ptn1,AUPRC,0.10655726960720523, +DUD-AD,SimilaritySearch_Mean,ptn1,AUROC,0.655334555884704, +DUD-AD,SimilaritySearch_Mean,ptn1,BEDROC,0.16377747813335786, +DUD-AD,SimilaritySearch_Mean,ptn1,Enrichment factor 1%,5.8144796380090495, +DUD-AD,SimilaritySearch_Mean,ptn1,Enrichment factor 5%,2.32579185520362, +DUD-AD,SimilaritySearch_Mean,ptn1,RIE,2.5434851251952058, +DUD-AD,SimilaritySearch_Mean,ptn1,AUPRC,0.10655726960720523, +DUD-AD,SimilaritySearch_Max,ptn1,AUROC,0.8278200968636856, +DUD-AD,SimilaritySearch_Max,ptn1,BEDROC,0.615000660103708, +DUD-AD,SimilaritySearch_Max,ptn1,Enrichment factor 1%,31.979638009049776, +DUD-AD,SimilaritySearch_Max,ptn1,Enrichment factor 5%,11.047511312217196, +DUD-AD,SimilaritySearch_Max,ptn1,RIE,9.551038544912611, +DUD-AD,SimilaritySearch_Max,ptn1,AUPRC,0.5156243236893752, +DUD-AD,LightGBM_Ranker,ptn1,AUROC,0.7812573470635257, +DUD-AD,LightGBM_Ranker,ptn1,BEDROC,0.3718844676338196, +DUD-AD,LightGBM_Ranker,ptn1,Enrichment factor 1%,17.44343891402715, +DUD-AD,LightGBM_Ranker,ptn1,Enrichment factor 5%,5.8144796380090495, +DUD-AD,LightGBM_Ranker,ptn1,RIE,5.775413147095643, +DUD-AD,LightGBM_Ranker,ptn1,AUPRC,0.27272055040910087, +DUD-AD,LightGBM_Ranker,ptn1,accuracy,0.5221789883268483, +DUD-AD,LightGBM_Ranker,ptn1,F1 score,0.09171597633136094, +DUD-AD,LightGBM_Ranker,ptn1,recall,0.9117647058823529, +DUD-AD,LightGBM_Ranker,ptn1,precision,0.048286604361370715, +DUD-AD,LightGBM_Ranker,ptn1,MCC,0.13589399015777384, DUD-AD,RandomForest,pur2,AUROC,0.9969865186360032, DUD-AD,RandomForest,pur2,BEDROC,0.9456627668654597, DUD-AD,RandomForest,pur2,Enrichment factor 1%,77.90769230769232, @@ -3493,12 +5601,29 @@ DUD-AD,LogisticRegression,pur2,F1 score,0.3333333333333333, DUD-AD,LogisticRegression,pur2,recall,0.2, DUD-AD,LogisticRegression,pur2,precision,1.0, DUD-AD,LogisticRegression,pur2,MCC,0.4465059786081328, -DUD-AD,SimilaritySearch,pur2,AUROC,0.986994448850119, -DUD-AD,SimilaritySearch,pur2,BEDROC,0.8430880170015134, -DUD-AD,SimilaritySearch,pur2,Enrichment factor 1%,77.90769230769232, -DUD-AD,SimilaritySearch,pur2,Enrichment factor 5%,15.825, -DUD-AD,SimilaritySearch,pur2,RIE,16.213007358548044, -DUD-AD,SimilaritySearch,pur2,AUPRC,0.6793248945147679, +DUD-AD,SimilaritySearch_Mean,pur2,AUROC,0.986994448850119, +DUD-AD,SimilaritySearch_Mean,pur2,BEDROC,0.8430880170015134, +DUD-AD,SimilaritySearch_Mean,pur2,Enrichment factor 1%,77.90769230769232, +DUD-AD,SimilaritySearch_Mean,pur2,Enrichment factor 5%,15.825, +DUD-AD,SimilaritySearch_Mean,pur2,RIE,16.213007358548044, +DUD-AD,SimilaritySearch_Mean,pur2,AUPRC,0.6793248945147679, +DUD-AD,SimilaritySearch_Max,pur2,AUROC,0.9830293417922285, +DUD-AD,SimilaritySearch_Max,pur2,BEDROC,0.8322816344211238, +DUD-AD,SimilaritySearch_Max,pur2,Enrichment factor 1%,77.90769230769232, +DUD-AD,SimilaritySearch_Max,pur2,Enrichment factor 5%,15.825, +DUD-AD,SimilaritySearch_Max,pur2,RIE,16.00519517725916, +DUD-AD,SimilaritySearch_Max,pur2,AUPRC,0.7092592592592593, +DUD-AD,LightGBM_Ranker,pur2,AUROC,0.9922283901665345, +DUD-AD,LightGBM_Ranker,pur2,BEDROC,0.8685642249761866, +DUD-AD,LightGBM_Ranker,pur2,Enrichment factor 1%,58.43076923076923, +DUD-AD,LightGBM_Ranker,pur2,Enrichment factor 5%,19.78125, +DUD-AD,LightGBM_Ranker,pur2,RIE,16.70292767284393, +DUD-AD,LightGBM_Ranker,pur2,AUPRC,0.41997549019607844, +DUD-AD,LightGBM_Ranker,pur2,accuracy,0.5039494470774092, +DUD-AD,LightGBM_Ranker,pur2,F1 score,0.01567398119122257, +DUD-AD,LightGBM_Ranker,pur2,recall,1.0, +DUD-AD,LightGBM_Ranker,pur2,precision,0.007898894154818325, +DUD-AD,LightGBM_Ranker,pur2,MCC,0.06296909605425953, DUD-AD,RandomForest,pyrd,AUROC,0.9923212956068503, DUD-AD,RandomForest,pyrd,BEDROC,0.9096970234047572, DUD-AD,RandomForest,pyrd,Enrichment factor 1%,63.76018099547511, @@ -3521,12 +5646,29 @@ DUD-AD,LogisticRegression,pyrd,F1 score,0.7586206896551724, DUD-AD,LogisticRegression,pyrd,recall,0.6470588235294118, DUD-AD,LogisticRegression,pyrd,precision,0.9166666666666666, DUD-AD,LogisticRegression,pyrd,MCC,0.7676955156585729, -DUD-AD,SimilaritySearch,pyrd,AUROC,0.8203648548026805, -DUD-AD,SimilaritySearch,pyrd,BEDROC,0.2956415647989319, -DUD-AD,SimilaritySearch,pyrd,Enrichment factor 1%,17.389140271493215, -DUD-AD,SimilaritySearch,pyrd,Enrichment factor 5%,4.6371040723981904, -DUD-AD,SimilaritySearch,pyrd,RIE,5.193197121691444, -DUD-AD,SimilaritySearch,pyrd,AUPRC,0.15532352540153846, +DUD-AD,SimilaritySearch_Mean,pyrd,AUROC,0.8203648548026805, +DUD-AD,SimilaritySearch_Mean,pyrd,BEDROC,0.2956415647989319, +DUD-AD,SimilaritySearch_Mean,pyrd,Enrichment factor 1%,17.389140271493215, +DUD-AD,SimilaritySearch_Mean,pyrd,Enrichment factor 5%,4.6371040723981904, +DUD-AD,SimilaritySearch_Mean,pyrd,RIE,5.193197121691444, +DUD-AD,SimilaritySearch_Mean,pyrd,AUPRC,0.15532352540153846, +DUD-AD,SimilaritySearch_Max,pyrd,AUROC,0.9259121370067014, +DUD-AD,SimilaritySearch_Max,pyrd,BEDROC,0.8067460891852459, +DUD-AD,SimilaritySearch_Max,pyrd,Enrichment factor 1%,63.76018099547511, +DUD-AD,SimilaritySearch_Max,pyrd,Enrichment factor 5%,16.229864253393664, +DUD-AD,SimilaritySearch_Max,pyrd,RIE,14.171185459026841, +DUD-AD,SimilaritySearch_Max,pyrd,AUPRC,0.7439975458335585, +DUD-AD,LightGBM_Ranker,pyrd,AUROC,0.6641381236038719, +DUD-AD,LightGBM_Ranker,pyrd,BEDROC,0.29239735120906785, +DUD-AD,LightGBM_Ranker,pyrd,Enrichment factor 1%,17.389140271493215, +DUD-AD,LightGBM_Ranker,pyrd,Enrichment factor 5%,5.796380090497737, +DUD-AD,LightGBM_Ranker,pyrd,RIE,5.136209733820839, +DUD-AD,LightGBM_Ranker,pyrd,AUPRC,0.21005556743635637, +DUD-AD,LightGBM_Ranker,pyrd,accuracy,0.5058548009367682, +DUD-AD,LightGBM_Ranker,pyrd,F1 score,0.0365296803652968, +DUD-AD,LightGBM_Ranker,pyrd,recall,0.7058823529411765, +DUD-AD,LightGBM_Ranker,pyrd,precision,0.01875, +DUD-AD,LightGBM_Ranker,pyrd,MCC,0.047843478533601214, DUD-AD,RandomForest,rock1,AUROC,0.9559167480830151, DUD-AD,RandomForest,rock1,BEDROC,0.795874792255699, DUD-AD,RandomForest,rock1,Enrichment factor 1%,47.333333333333336, @@ -3549,13 +5691,30 @@ DUD-AD,LogisticRegression,rock1,F1 score,0.55, DUD-AD,LogisticRegression,rock1,recall,0.4074074074074074, DUD-AD,LogisticRegression,rock1,precision,0.8461538461538461, DUD-AD,LogisticRegression,rock1,MCC,0.581587330241984, -DUD-AD,SimilaritySearch,rock1,AUROC,0.8038310092666607, -DUD-AD,SimilaritySearch,rock1,BEDROC,0.30977654654565073, -DUD-AD,SimilaritySearch,rock1,Enrichment factor 1%,18.205128205128204, -DUD-AD,SimilaritySearch,rock1,Enrichment factor 5%,5.177083333333333, -DUD-AD,SimilaritySearch,rock1,RIE,5.053032619147141, -DUD-AD,SimilaritySearch,rock1,AUPRC,0.1410987094033334, -DUD-AD,RandomForest,src,AUROC,0.9131741712023749, +DUD-AD,SimilaritySearch_Mean,rock1,AUROC,0.8038310092666607, +DUD-AD,SimilaritySearch_Mean,rock1,BEDROC,0.30977654654565073, +DUD-AD,SimilaritySearch_Mean,rock1,Enrichment factor 1%,18.205128205128204, +DUD-AD,SimilaritySearch_Mean,rock1,Enrichment factor 5%,5.177083333333333, +DUD-AD,SimilaritySearch_Mean,rock1,RIE,5.053032619147141, +DUD-AD,SimilaritySearch_Mean,rock1,AUPRC,0.1410987094033334, +DUD-AD,SimilaritySearch_Max,rock1,AUROC,0.9172513840779228, +DUD-AD,SimilaritySearch_Max,rock1,BEDROC,0.7005405110468955, +DUD-AD,SimilaritySearch_Max,rock1,Enrichment factor 1%,40.05128205128205, +DUD-AD,SimilaritySearch_Max,rock1,Enrichment factor 5%,14.052083333333334, +DUD-AD,SimilaritySearch_Max,rock1,RIE,11.427120848175846, +DUD-AD,SimilaritySearch_Max,rock1,AUPRC,0.518221921480798, +DUD-AD,LightGBM_Ranker,rock1,AUROC,0.8419338603191521, +DUD-AD,LightGBM_Ranker,rock1,BEDROC,0.4920429679048637, +DUD-AD,LightGBM_Ranker,rock1,Enrichment factor 1%,29.128205128205128, +DUD-AD,LightGBM_Ranker,rock1,Enrichment factor 5%,8.875, +DUD-AD,LightGBM_Ranker,rock1,RIE,8.026137502080235, +DUD-AD,LightGBM_Ranker,rock1,AUPRC,0.38325215657611755, +DUD-AD,LightGBM_Ranker,rock1,accuracy,0.5179968701095462, +DUD-AD,LightGBM_Ranker,rock1,F1 score,0.07507507507507508, +DUD-AD,LightGBM_Ranker,rock1,recall,0.9259259259259259, +DUD-AD,LightGBM_Ranker,rock1,precision,0.03912363067292645, +DUD-AD,LightGBM_Ranker,rock1,MCC,0.12514609397901122, +DUD-AD,RandomForest,src,AUROC,0.9131741712023751, DUD-AD,RandomForest,src,BEDROC,0.7794232144705011, DUD-AD,RandomForest,src,Enrichment factor 1%,13.671732522796352, DUD-AD,RandomForest,src,Enrichment factor 5%,10.937386018237081, @@ -3577,12 +5736,29 @@ DUD-AD,LogisticRegression,src,F1 score,0.5290322580645161, DUD-AD,LogisticRegression,src,recall,0.43617021276595747, DUD-AD,LogisticRegression,src,precision,0.6721311475409836, DUD-AD,LogisticRegression,src,MCC,0.5156460579636541, -DUD-AD,SimilaritySearch,src,AUROC,0.6903183242619165, -DUD-AD,SimilaritySearch,src,BEDROC,0.3590363007035065, -DUD-AD,SimilaritySearch,src,Enrichment factor 1%,8.413373860182372, -DUD-AD,SimilaritySearch,src,Enrichment factor 5%,4.837689969604863, -DUD-AD,SimilaritySearch,src,RIE,3.9272693639268357, -DUD-AD,SimilaritySearch,src,AUPRC,0.2304415845383181, +DUD-AD,SimilaritySearch_Mean,src,AUROC,0.6903183242619165, +DUD-AD,SimilaritySearch_Mean,src,BEDROC,0.3590363007035065, +DUD-AD,SimilaritySearch_Mean,src,Enrichment factor 1%,8.413373860182372, +DUD-AD,SimilaritySearch_Mean,src,Enrichment factor 5%,4.837689969604863, +DUD-AD,SimilaritySearch_Mean,src,RIE,3.9272693639268357, +DUD-AD,SimilaritySearch_Mean,src,AUPRC,0.2304415845383181, +DUD-AD,SimilaritySearch_Max,src,AUROC,0.8255566551212271, +DUD-AD,SimilaritySearch_Max,src,BEDROC,0.6346982835998862, +DUD-AD,SimilaritySearch_Max,src,Enrichment factor 1%,10.516717325227964, +DUD-AD,SimilaritySearch_Max,src,Enrichment factor 5%,9.465045592705167, +DUD-AD,SimilaritySearch_Max,src,RIE,6.942560112888445, +DUD-AD,SimilaritySearch_Max,src,AUPRC,0.46088643143978525, +DUD-AD,LightGBM_Ranker,src,AUROC,0.7720600362856671, +DUD-AD,LightGBM_Ranker,src,BEDROC,0.46400774346588797, +DUD-AD,LightGBM_Ranker,src,Enrichment factor 1%,11.568389057750759, +DUD-AD,LightGBM_Ranker,src,Enrichment factor 5%,5.88936170212766, +DUD-AD,LightGBM_Ranker,src,RIE,5.07548507702914, +DUD-AD,LightGBM_Ranker,src,AUPRC,0.34390543997253875, +DUD-AD,LightGBM_Ranker,src,accuracy,0.5433526011560693, +DUD-AD,LightGBM_Ranker,src,F1 score,0.19592875318066158, +DUD-AD,LightGBM_Ranker,src,recall,0.8191489361702128, +DUD-AD,LightGBM_Ranker,src,precision,0.11127167630057803, +DUD-AD,LightGBM_Ranker,src,MCC,0.17230285294246528, DUD-AD,RandomForest,try1,AUROC,0.9707609168371374, DUD-AD,RandomForest,try1,BEDROC,0.8599254626106045, DUD-AD,RandomForest,try1,Enrichment factor 1%,13.928571428571429, @@ -3605,12 +5781,29 @@ DUD-AD,LogisticRegression,try1,F1 score,0.6976744186046512, DUD-AD,LogisticRegression,try1,recall,0.6122448979591837, DUD-AD,LogisticRegression,try1,precision,0.8108108108108109, DUD-AD,LogisticRegression,try1,MCC,0.6853901364344915, -DUD-AD,SimilaritySearch,try1,AUROC,0.6945782259233606, -DUD-AD,SimilaritySearch,try1,BEDROC,0.3952802314494301, -DUD-AD,SimilaritySearch,try1,Enrichment factor 1%,6.964285714285714, -DUD-AD,SimilaritySearch,try1,Enrichment factor 5%,5.248447204968944, -DUD-AD,SimilaritySearch,try1,RIE,4.195875877604477, -DUD-AD,SimilaritySearch,try1,AUPRC,0.24467676765600488, +DUD-AD,SimilaritySearch_Mean,try1,AUROC,0.6945782259233606, +DUD-AD,SimilaritySearch_Mean,try1,BEDROC,0.3952802314494301, +DUD-AD,SimilaritySearch_Mean,try1,Enrichment factor 1%,6.964285714285714, +DUD-AD,SimilaritySearch_Mean,try1,Enrichment factor 5%,5.248447204968944, +DUD-AD,SimilaritySearch_Mean,try1,RIE,4.195875877604477, +DUD-AD,SimilaritySearch_Mean,try1,AUPRC,0.24467676765600488, +DUD-AD,SimilaritySearch_Max,try1,AUROC,0.8544368023452475, +DUD-AD,SimilaritySearch_Max,try1,BEDROC,0.6825774519800674, +DUD-AD,SimilaritySearch_Max,try1,Enrichment factor 1%,9.948979591836734, +DUD-AD,SimilaritySearch_Max,try1,Enrichment factor 5%,9.285714285714286, +DUD-AD,SimilaritySearch_Max,try1,RIE,7.245518523494752, +DUD-AD,SimilaritySearch_Max,try1,AUPRC,0.5217124502632766, +DUD-AD,LightGBM_Ranker,try1,AUROC,0.8668878759080585, +DUD-AD,LightGBM_Ranker,try1,BEDROC,0.7081833020107732, +DUD-AD,LightGBM_Ranker,try1,Enrichment factor 1%,10.943877551020408, +DUD-AD,LightGBM_Ranker,try1,Enrichment factor 5%,9.285714285714286, +DUD-AD,LightGBM_Ranker,try1,RIE,7.517323075218857, +DUD-AD,LightGBM_Ranker,try1,AUPRC,0.5791858346412608, +DUD-AD,LightGBM_Ranker,try1,accuracy,0.5545787545787546, +DUD-AD,LightGBM_Ranker,try1,F1 score,0.2205128205128205, +DUD-AD,LightGBM_Ranker,try1,recall,0.8775510204081632, +DUD-AD,LightGBM_Ranker,try1,precision,0.12609970674486803, +DUD-AD,LightGBM_Ranker,try1,MCC,0.21020916139438034, DUD-AD,RandomForest,tysy,AUROC,0.9890338199161729, DUD-AD,RandomForest,tysy,BEDROC,0.8690269870726258, DUD-AD,RandomForest,tysy,Enrichment factor 1%,53.7062937062937, @@ -3633,12 +5826,29 @@ DUD-AD,LogisticRegression,tysy,F1 score,0.7058823529411765, DUD-AD,LogisticRegression,tysy,recall,0.5454545454545454, DUD-AD,LogisticRegression,tysy,precision,1.0, DUD-AD,LogisticRegression,tysy,MCC,0.7356309220361068, -DUD-AD,SimilaritySearch,tysy,AUROC,0.6673652261887556, -DUD-AD,SimilaritySearch,tysy,BEDROC,0.3539701670332489, -DUD-AD,SimilaritySearch,tysy,Enrichment factor 1%,22.377622377622377, -DUD-AD,SimilaritySearch,tysy,Enrichment factor 5%,7.2727272727272725, -DUD-AD,SimilaritySearch,tysy,RIE,5.990849975275588, -DUD-AD,SimilaritySearch,tysy,AUPRC,0.23858153625979617, +DUD-AD,SimilaritySearch_Mean,tysy,AUROC,0.6673652261887556, +DUD-AD,SimilaritySearch_Mean,tysy,BEDROC,0.3539701670332489, +DUD-AD,SimilaritySearch_Mean,tysy,Enrichment factor 1%,22.377622377622377, +DUD-AD,SimilaritySearch_Mean,tysy,Enrichment factor 5%,7.2727272727272725, +DUD-AD,SimilaritySearch_Mean,tysy,RIE,5.990849975275588, +DUD-AD,SimilaritySearch_Mean,tysy,AUPRC,0.23858153625979617, +DUD-AD,SimilaritySearch_Max,tysy,AUROC,0.875668449197861, +DUD-AD,SimilaritySearch_Max,tysy,BEDROC,0.6811369409172692, +DUD-AD,SimilaritySearch_Max,tysy,Enrichment factor 1%,40.27972027972028, +DUD-AD,SimilaritySearch_Max,tysy,Enrichment factor 5%,12.727272727272727, +DUD-AD,SimilaritySearch_Max,tysy,RIE,11.528059677343515, +DUD-AD,SimilaritySearch_Max,tysy,AUPRC,0.5606417304612548, +DUD-AD,LightGBM_Ranker,tysy,AUROC,0.767307414366238, +DUD-AD,LightGBM_Ranker,tysy,BEDROC,0.48478495270518607, +DUD-AD,LightGBM_Ranker,tysy,Enrichment factor 1%,26.85314685314685, +DUD-AD,LightGBM_Ranker,tysy,Enrichment factor 5%,9.090909090909092, +DUD-AD,LightGBM_Ranker,tysy,RIE,8.204855058363172, +DUD-AD,LightGBM_Ranker,tysy,AUPRC,0.2965329069150583, +DUD-AD,LightGBM_Ranker,tysy,accuracy,0.51171875, +DUD-AD,LightGBM_Ranker,tysy,F1 score,0.05446293494704992, +DUD-AD,LightGBM_Ranker,tysy,recall,0.8181818181818182, +DUD-AD,LightGBM_Ranker,tysy,precision,0.028169014084507043, +DUD-AD,LightGBM_Ranker,tysy,MCC,0.08436104405094913, DUD-AD,RandomForest,urok,AUROC,0.9365509508012897, DUD-AD,RandomForest,urok,BEDROC,0.8310108433908321, DUD-AD,RandomForest,urok,Enrichment factor 1%,38.029411764705884, @@ -3661,12 +5871,29 @@ DUD-AD,LogisticRegression,urok,F1 score,0.676923076923077, DUD-AD,LogisticRegression,urok,recall,0.6470588235294118, DUD-AD,LogisticRegression,urok,precision,0.7096774193548387, DUD-AD,LogisticRegression,urok,MCC,0.6693617556083156, -DUD-AD,SimilaritySearch,urok,AUROC,0.7070270522823904, -DUD-AD,SimilaritySearch,urok,BEDROC,0.28098647019665807, -DUD-AD,SimilaritySearch,urok,Enrichment factor 1%,14.626696832579185, -DUD-AD,SimilaritySearch,urok,Enrichment factor 5%,4.68054298642534, -DUD-AD,SimilaritySearch,urok,RIE,4.370279110559877, -DUD-AD,SimilaritySearch,urok,AUPRC,0.1462544168363204, +DUD-AD,SimilaritySearch_Mean,urok,AUROC,0.7070270522823904, +DUD-AD,SimilaritySearch_Mean,urok,BEDROC,0.28098647019665807, +DUD-AD,SimilaritySearch_Mean,urok,Enrichment factor 1%,14.626696832579185, +DUD-AD,SimilaritySearch_Mean,urok,Enrichment factor 5%,4.68054298642534, +DUD-AD,SimilaritySearch_Mean,urok,RIE,4.370279110559877, +DUD-AD,SimilaritySearch_Mean,urok,AUPRC,0.1462544168363204, +DUD-AD,SimilaritySearch_Max,urok,AUROC,0.8574498902023081, +DUD-AD,SimilaritySearch_Max,urok,BEDROC,0.6961366015667794, +DUD-AD,SimilaritySearch_Max,urok,Enrichment factor 1%,32.178733031674206, +DUD-AD,SimilaritySearch_Max,urok,Enrichment factor 5%,13.45656108597285, +DUD-AD,SimilaritySearch_Max,urok,RIE,10.827251658329741, +DUD-AD,SimilaritySearch_Max,urok,AUPRC,0.535113025835451, +DUD-AD,LightGBM_Ranker,urok,AUROC,0.8848876325748727, +DUD-AD,LightGBM_Ranker,urok,BEDROC,0.6216541726852778, +DUD-AD,LightGBM_Ranker,urok,Enrichment factor 1%,20.47737556561086, +DUD-AD,LightGBM_Ranker,urok,Enrichment factor 5%,11.70135746606335, +DUD-AD,LightGBM_Ranker,urok,RIE,9.668800866102218, +DUD-AD,LightGBM_Ranker,urok,AUPRC,0.4649685777834886, +DUD-AD,LightGBM_Ranker,urok,accuracy,0.5235885537509667, +DUD-AD,LightGBM_Ranker,urok,F1 score,0.09411764705882353, +DUD-AD,LightGBM_Ranker,urok,recall,0.9411764705882353, +DUD-AD,LightGBM_Ranker,urok,precision,0.04953560371517028, +DUD-AD,LightGBM_Ranker,urok,MCC,0.14512744842702233, DUD-AD,RandomForest,vgfr2,AUROC,0.9603659127468651, DUD-AD,RandomForest,vgfr2,BEDROC,0.8023916218610452, DUD-AD,RandomForest,vgfr2,Enrichment factor 1%,16.728395061728396, @@ -3689,12 +5916,29 @@ DUD-AD,LogisticRegression,vgfr2,F1 score,0.5522388059701493, DUD-AD,LogisticRegression,vgfr2,recall,0.4567901234567901, DUD-AD,LogisticRegression,vgfr2,precision,0.6981132075471698, DUD-AD,LogisticRegression,vgfr2,MCC,0.543241458404699, -DUD-AD,SimilaritySearch,vgfr2,AUROC,0.7982343934724887, -DUD-AD,SimilaritySearch,vgfr2,BEDROC,0.29375767236105504, -DUD-AD,SimilaritySearch,vgfr2,Enrichment factor 1%,3.584656084656084, -DUD-AD,SimilaritySearch,vgfr2,Enrichment factor 5%,3.690087145969499, -DUD-AD,SimilaritySearch,vgfr2,RIE,3.4274292039915095, -DUD-AD,SimilaritySearch,vgfr2,AUPRC,0.17758956429825049, +DUD-AD,SimilaritySearch_Mean,vgfr2,AUROC,0.7982343934724887, +DUD-AD,SimilaritySearch_Mean,vgfr2,BEDROC,0.29375767236105504, +DUD-AD,SimilaritySearch_Mean,vgfr2,Enrichment factor 1%,3.584656084656084, +DUD-AD,SimilaritySearch_Mean,vgfr2,Enrichment factor 5%,3.690087145969499, +DUD-AD,SimilaritySearch_Mean,vgfr2,RIE,3.4274292039915095, +DUD-AD,SimilaritySearch_Mean,vgfr2,AUPRC,0.17758956429825049, +DUD-AD,SimilaritySearch_Max,vgfr2,AUROC,0.9136626160435684, +DUD-AD,SimilaritySearch_Max,vgfr2,BEDROC,0.6470454671825645, +DUD-AD,SimilaritySearch_Max,vgfr2,Enrichment factor 1%,8.364197530864198, +DUD-AD,SimilaritySearch_Max,vgfr2,Enrichment factor 5%,9.348220769789398, +DUD-AD,SimilaritySearch_Max,vgfr2,RIE,7.549428359177509, +DUD-AD,SimilaritySearch_Max,vgfr2,AUPRC,0.47284813439033313, +DUD-AD,LightGBM_Ranker,vgfr2,AUROC,0.6378083997131616, +DUD-AD,LightGBM_Ranker,vgfr2,BEDROC,0.29728288560535143, +DUD-AD,LightGBM_Ranker,vgfr2,Enrichment factor 1%,11.948853615520283, +DUD-AD,LightGBM_Ranker,vgfr2,Enrichment factor 5%,3.4440813362381992, +DUD-AD,LightGBM_Ranker,vgfr2,RIE,3.4685597673108046, +DUD-AD,LightGBM_Ranker,vgfr2,AUPRC,0.2098641070729629, +DUD-AD,LightGBM_Ranker,vgfr2,accuracy,0.5210332103321034, +DUD-AD,LightGBM_Ranker,vgfr2,F1 score,0.142668428005284, +DUD-AD,LightGBM_Ranker,vgfr2,recall,0.6666666666666666, +DUD-AD,LightGBM_Ranker,vgfr2,precision,0.07988165680473373, +DUD-AD,LightGBM_Ranker,vgfr2,MCC,0.08460824374226365, Dekois,RandomForest,17betaHSD1,AUROC,0.9836065573770492, Dekois,RandomForest,17betaHSD1,BEDROC,0.8181979964146692, Dekois,RandomForest,17betaHSD1,Enrichment factor 1%,46.5, @@ -3717,12 +5961,29 @@ Dekois,LogisticRegression,17betaHSD1,F1 score,0.4444444444444444, Dekois,LogisticRegression,17betaHSD1,recall,0.4, Dekois,LogisticRegression,17betaHSD1,precision,0.5, Dekois,LogisticRegression,17betaHSD1,MCC,0.43916287509105884, -Dekois,SimilaritySearch,17betaHSD1,AUROC,0.900327868852459, -Dekois,SimilaritySearch,17betaHSD1,BEDROC,0.619555855146444, -Dekois,SimilaritySearch,17betaHSD1,Enrichment factor 1%,31.0, -Dekois,SimilaritySearch,17betaHSD1,Enrichment factor 5%,11.625, -Dekois,SimilaritySearch,17betaHSD1,RIE,10.59117960785746, -Dekois,SimilaritySearch,17betaHSD1,AUPRC,0.41623461639172565, +Dekois,SimilaritySearch_Mean,17betaHSD1,AUROC,0.900327868852459, +Dekois,SimilaritySearch_Mean,17betaHSD1,BEDROC,0.619555855146444, +Dekois,SimilaritySearch_Mean,17betaHSD1,Enrichment factor 1%,31.0, +Dekois,SimilaritySearch_Mean,17betaHSD1,Enrichment factor 5%,11.625, +Dekois,SimilaritySearch_Mean,17betaHSD1,RIE,10.59117960785746, +Dekois,SimilaritySearch_Mean,17betaHSD1,AUPRC,0.41623461639172565, +Dekois,SimilaritySearch_Max,17betaHSD1,AUROC,0.8465573770491804, +Dekois,SimilaritySearch_Max,17betaHSD1,BEDROC,0.6264734442615714, +Dekois,SimilaritySearch_Max,17betaHSD1,Enrichment factor 1%,15.5, +Dekois,SimilaritySearch_Max,17betaHSD1,Enrichment factor 5%,11.625, +Dekois,SimilaritySearch_Max,17betaHSD1,RIE,10.709434367015255, +Dekois,SimilaritySearch_Max,17betaHSD1,AUPRC,0.412427843803056, +Dekois,LightGBM_Ranker,17betaHSD1,AUROC,0.9842622950819672, +Dekois,LightGBM_Ranker,17betaHSD1,BEDROC,0.8198140666412326, +Dekois,LightGBM_Ranker,17betaHSD1,Enrichment factor 1%,46.5, +Dekois,LightGBM_Ranker,17betaHSD1,Enrichment factor 5%,15.5, +Dekois,LightGBM_Ranker,17betaHSD1,RIE,14.01455242974133, +Dekois,LightGBM_Ranker,17betaHSD1,AUPRC,0.7234782608695651, +Dekois,LightGBM_Ranker,17betaHSD1,accuracy,0.5161290322580645, +Dekois,LightGBM_Ranker,17betaHSD1,F1 score,0.0625, +Dekois,LightGBM_Ranker,17betaHSD1,recall,1.0, +Dekois,LightGBM_Ranker,17betaHSD1,precision,0.03225806451612903, +Dekois,LightGBM_Ranker,17betaHSD1,MCC,0.12803687993289598, Dekois,RandomForest,A2A,AUROC,0.930089485458613, Dekois,RandomForest,A2A,BEDROC,0.7285259042025599, Dekois,RandomForest,A2A,Enrichment factor 1%,25.833333333333332, @@ -3745,12 +6006,29 @@ Dekois,LogisticRegression,A2A,F1 score,0.2857142857142857, Dekois,LogisticRegression,A2A,recall,0.16666666666666666, Dekois,LogisticRegression,A2A,precision,1.0, Dekois,LogisticRegression,A2A,MCC,0.4015661978496338, -Dekois,SimilaritySearch,A2A,AUROC,0.9152684563758389, -Dekois,SimilaritySearch,A2A,BEDROC,0.5499961430867238, -Dekois,SimilaritySearch,A2A,Enrichment factor 1%,12.916666666666666, -Dekois,SimilaritySearch,A2A,Enrichment factor 5%,8.072916666666666, -Dekois,SimilaritySearch,A2A,RIE,7.657165765327702, -Dekois,SimilaritySearch,A2A,AUPRC,0.4186933482283158, +Dekois,SimilaritySearch_Mean,A2A,AUROC,0.9152684563758389, +Dekois,SimilaritySearch_Mean,A2A,BEDROC,0.5499961430867238, +Dekois,SimilaritySearch_Mean,A2A,Enrichment factor 1%,12.916666666666666, +Dekois,SimilaritySearch_Mean,A2A,Enrichment factor 5%,8.072916666666666, +Dekois,SimilaritySearch_Mean,A2A,RIE,7.657165765327702, +Dekois,SimilaritySearch_Mean,A2A,AUPRC,0.4186933482283158, +Dekois,SimilaritySearch_Max,A2A,AUROC,0.8877237136465325, +Dekois,SimilaritySearch_Max,A2A,BEDROC,0.5723919960136692, +Dekois,SimilaritySearch_Max,A2A,Enrichment factor 1%,19.375, +Dekois,SimilaritySearch_Max,A2A,Enrichment factor 5%,8.072916666666666, +Dekois,SimilaritySearch_Max,A2A,RIE,7.968965691707613, +Dekois,SimilaritySearch_Max,A2A,AUPRC,0.4843507456184671, +Dekois,LightGBM_Ranker,A2A,AUROC,0.9639261744966443, +Dekois,LightGBM_Ranker,A2A,BEDROC,0.84666017276958, +Dekois,LightGBM_Ranker,A2A,Enrichment factor 1%,25.833333333333332, +Dekois,LightGBM_Ranker,A2A,Enrichment factor 5%,16.145833333333332, +Dekois,LightGBM_Ranker,A2A,RIE,11.787386789568849, +Dekois,LightGBM_Ranker,A2A,AUPRC,0.7977448477448479, +Dekois,LightGBM_Ranker,A2A,accuracy,0.5387096774193548, +Dekois,LightGBM_Ranker,A2A,F1 score,0.1437125748502994, +Dekois,LightGBM_Ranker,A2A,recall,1.0, +Dekois,LightGBM_Ranker,A2A,precision,0.07741935483870968, +Dekois,LightGBM_Ranker,A2A,MCC,0.20067001862719533, Dekois,RandomForest,ADRB2,AUROC,0.974344776670358, Dekois,RandomForest,ADRB2,BEDROC,0.8412520701748246, Dekois,RandomForest,ADRB2,Enrichment factor 1%,34.44444444444444, @@ -3773,12 +6051,29 @@ Dekois,LogisticRegression,ADRB2,F1 score,0.2, Dekois,LogisticRegression,ADRB2,recall,0.1111111111111111, Dekois,LogisticRegression,ADRB2,precision,1.0, Dekois,LogisticRegression,ADRB2,MCC,0.32899004246370933, -Dekois,SimilaritySearch,ADRB2,AUROC,0.8471760797342192, -Dekois,SimilaritySearch,ADRB2,BEDROC,0.564504223972288, -Dekois,SimilaritySearch,ADRB2,Enrichment factor 1%,17.22222222222222, -Dekois,SimilaritySearch,ADRB2,Enrichment factor 5%,10.76388888888889, -Dekois,SimilaritySearch,ADRB2,RIE,8.564372735043035, -Dekois,SimilaritySearch,ADRB2,AUPRC,0.38941841514257264, +Dekois,SimilaritySearch_Mean,ADRB2,AUROC,0.8471760797342192, +Dekois,SimilaritySearch_Mean,ADRB2,BEDROC,0.564504223972288, +Dekois,SimilaritySearch_Mean,ADRB2,Enrichment factor 1%,17.22222222222222, +Dekois,SimilaritySearch_Mean,ADRB2,Enrichment factor 5%,10.76388888888889, +Dekois,SimilaritySearch_Mean,ADRB2,RIE,8.564372735043035, +Dekois,SimilaritySearch_Mean,ADRB2,AUPRC,0.38941841514257264, +Dekois,SimilaritySearch_Max,ADRB2,AUROC,0.8929494278331488, +Dekois,SimilaritySearch_Max,ADRB2,BEDROC,0.7398690690884522, +Dekois,SimilaritySearch_Max,ADRB2,Enrichment factor 1%,34.44444444444444, +Dekois,SimilaritySearch_Max,ADRB2,Enrichment factor 5%,12.916666666666666, +Dekois,SimilaritySearch_Max,ADRB2,RIE,11.224919502663074, +Dekois,SimilaritySearch_Max,ADRB2,AUPRC,0.6623971398602432, +Dekois,LightGBM_Ranker,ADRB2,AUROC,0.9667774086378738, +Dekois,LightGBM_Ranker,ADRB2,BEDROC,0.7266456351576908, +Dekois,LightGBM_Ranker,ADRB2,Enrichment factor 1%,17.22222222222222, +Dekois,LightGBM_Ranker,ADRB2,Enrichment factor 5%,15.069444444444445, +Dekois,LightGBM_Ranker,ADRB2,RIE,11.024300248684208, +Dekois,LightGBM_Ranker,ADRB2,AUPRC,0.5905633275314126, +Dekois,LightGBM_Ranker,ADRB2,accuracy,0.5290322580645161, +Dekois,LightGBM_Ranker,ADRB2,F1 score,0.10975609756097561, +Dekois,LightGBM_Ranker,ADRB2,recall,1.0, +Dekois,LightGBM_Ranker,ADRB2,precision,0.05806451612903226, +Dekois,LightGBM_Ranker,ADRB2,MCC,0.1729171253112705, Dekois,RandomForest,AKT1,AUROC,0.8766666666666666, Dekois,RandomForest,AKT1,BEDROC,0.6012469229177638, Dekois,RandomForest,AKT1,Enrichment factor 1%,23.25, @@ -3801,12 +6096,29 @@ Dekois,LogisticRegression,AKT1,F1 score,0.2857142857142857, Dekois,LogisticRegression,AKT1,recall,0.2, Dekois,LogisticRegression,AKT1,precision,0.5, Dekois,LogisticRegression,AKT1,MCC,0.30267507402448895, -Dekois,SimilaritySearch,AKT1,AUROC,0.857, -Dekois,SimilaritySearch,AKT1,BEDROC,0.4921568164797681, -Dekois,SimilaritySearch,AKT1,Enrichment factor 1%,7.75, -Dekois,SimilaritySearch,AKT1,Enrichment factor 5%,9.6875, -Dekois,SimilaritySearch,AKT1,RIE,7.253448692419793, -Dekois,SimilaritySearch,AKT1,AUPRC,0.3231269028410589, +Dekois,SimilaritySearch_Mean,AKT1,AUROC,0.857, +Dekois,SimilaritySearch_Mean,AKT1,BEDROC,0.4921568164797681, +Dekois,SimilaritySearch_Mean,AKT1,Enrichment factor 1%,7.75, +Dekois,SimilaritySearch_Mean,AKT1,Enrichment factor 5%,9.6875, +Dekois,SimilaritySearch_Mean,AKT1,RIE,7.253448692419793, +Dekois,SimilaritySearch_Mean,AKT1,AUPRC,0.3231269028410589, +Dekois,SimilaritySearch_Max,AKT1,AUROC,0.857, +Dekois,SimilaritySearch_Max,AKT1,BEDROC,0.5525098428837629, +Dekois,SimilaritySearch_Max,AKT1,Enrichment factor 1%,23.25, +Dekois,SimilaritySearch_Max,AKT1,Enrichment factor 5%,7.75, +Dekois,SimilaritySearch_Max,AKT1,RIE,8.142936681410562, +Dekois,SimilaritySearch_Max,AKT1,AUPRC,0.36022642616918565, +Dekois,LightGBM_Ranker,AKT1,AUROC,0.9143333333333333, +Dekois,LightGBM_Ranker,AKT1,BEDROC,0.772297732957915, +Dekois,LightGBM_Ranker,AKT1,Enrichment factor 1%,23.25, +Dekois,LightGBM_Ranker,AKT1,Enrichment factor 5%,15.5, +Dekois,LightGBM_Ranker,AKT1,RIE,11.382189126481675, +Dekois,LightGBM_Ranker,AKT1,AUPRC,0.6510209235209234, +Dekois,LightGBM_Ranker,AKT1,accuracy,0.5258064516129032, +Dekois,LightGBM_Ranker,AKT1,F1 score,0.10909090909090909, +Dekois,LightGBM_Ranker,AKT1,recall,0.9, +Dekois,LightGBM_Ranker,AKT1,precision,0.05806451612903226, +Dekois,LightGBM_Ranker,AKT1,MCC,0.1460593486680443, Dekois,RandomForest,ALR2,AUROC,0.9914215686274511, Dekois,RandomForest,ALR2,BEDROC,0.892387747722524, Dekois,RandomForest,ALR2,Enrichment factor 1%,58.125, @@ -3829,12 +6141,29 @@ Dekois,LogisticRegression,ALR2,F1 score,0.8571428571428571, Dekois,LogisticRegression,ALR2,recall,0.75, Dekois,LogisticRegression,ALR2,precision,1.0, Dekois,LogisticRegression,ALR2,MCC,0.8646137884959556, -Dekois,SimilaritySearch,ALR2,AUROC,0.9125816993464052, -Dekois,SimilaritySearch,ALR2,BEDROC,0.39529313395387305, -Dekois,SimilaritySearch,ALR2,Enrichment factor 1%,19.375, -Dekois,SimilaritySearch,ALR2,Enrichment factor 5%,9.6875, -Dekois,SimilaritySearch,ALR2,RIE,6.968121613177046, -Dekois,SimilaritySearch,ALR2,AUPRC,0.193431855500821, +Dekois,SimilaritySearch_Mean,ALR2,AUROC,0.9125816993464052, +Dekois,SimilaritySearch_Mean,ALR2,BEDROC,0.39529313395387305, +Dekois,SimilaritySearch_Mean,ALR2,Enrichment factor 1%,19.375, +Dekois,SimilaritySearch_Mean,ALR2,Enrichment factor 5%,9.6875, +Dekois,SimilaritySearch_Mean,ALR2,RIE,6.968121613177046, +Dekois,SimilaritySearch_Mean,ALR2,AUPRC,0.193431855500821, +Dekois,SimilaritySearch_Max,ALR2,AUROC,0.9501633986928104, +Dekois,SimilaritySearch_Max,ALR2,BEDROC,0.763281106757365, +Dekois,SimilaritySearch_Max,ALR2,Enrichment factor 1%,58.125, +Dekois,SimilaritySearch_Max,ALR2,Enrichment factor 5%,14.53125, +Dekois,SimilaritySearch_Max,ALR2,RIE,13.454915106720621, +Dekois,SimilaritySearch_Max,ALR2,AUPRC,0.703125, +Dekois,LightGBM_Ranker,ALR2,AUROC,0.9983660130718954, +Dekois,LightGBM_Ranker,ALR2,BEDROC,0.9725992206691785, +Dekois,LightGBM_Ranker,ALR2,Enrichment factor 1%,58.125, +Dekois,LightGBM_Ranker,ALR2,Enrichment factor 5%,19.375, +Dekois,LightGBM_Ranker,ALR2,RIE,17.144718795302154, +Dekois,LightGBM_Ranker,ALR2,AUPRC,0.9166666666666666, +Dekois,LightGBM_Ranker,ALR2,accuracy,0.5129032258064516, +Dekois,LightGBM_Ranker,ALR2,F1 score,0.050314465408805034, +Dekois,LightGBM_Ranker,ALR2,recall,1.0, +Dekois,LightGBM_Ranker,ALR2,precision,0.025806451612903226, +Dekois,LightGBM_Ranker,ALR2,MCC,0.1143323900950059, Dekois,RandomForest,AR,AUROC,0.9316666666666666, Dekois,RandomForest,AR,BEDROC,0.7107292447791467, Dekois,RandomForest,AR,Enrichment factor 1%,23.25, @@ -3857,12 +6186,29 @@ Dekois,LogisticRegression,AR,F1 score,0.7058823529411765, Dekois,LogisticRegression,AR,recall,0.6, Dekois,LogisticRegression,AR,precision,0.8571428571428571, Dekois,LogisticRegression,AR,MCC,0.7096138271974437, -Dekois,SimilaritySearch,AR,AUROC,0.8223333333333334, -Dekois,SimilaritySearch,AR,BEDROC,0.45703904620460356, -Dekois,SimilaritySearch,AR,Enrichment factor 1%,15.5, -Dekois,SimilaritySearch,AR,Enrichment factor 5%,7.75, -Dekois,SimilaritySearch,AR,RIE,6.735880034788594, -Dekois,SimilaritySearch,AR,AUPRC,0.35719444160224967, +Dekois,SimilaritySearch_Mean,AR,AUROC,0.8223333333333334, +Dekois,SimilaritySearch_Mean,AR,BEDROC,0.45703904620460356, +Dekois,SimilaritySearch_Mean,AR,Enrichment factor 1%,15.5, +Dekois,SimilaritySearch_Mean,AR,Enrichment factor 5%,7.75, +Dekois,SimilaritySearch_Mean,AR,RIE,6.735880034788594, +Dekois,SimilaritySearch_Mean,AR,AUPRC,0.35719444160224967, +Dekois,SimilaritySearch_Max,AR,AUROC,0.845, +Dekois,SimilaritySearch_Max,AR,BEDROC,0.65291644265548, +Dekois,SimilaritySearch_Max,AR,Enrichment factor 1%,31.0, +Dekois,SimilaritySearch_Max,AR,Enrichment factor 5%,9.6875, +Dekois,SimilaritySearch_Max,AR,RIE,9.622737609942526, +Dekois,SimilaritySearch_Max,AR,AUPRC,0.581213588371612, +Dekois,LightGBM_Ranker,AR,AUROC,0.966, +Dekois,LightGBM_Ranker,AR,BEDROC,0.7946862326475879, +Dekois,LightGBM_Ranker,AR,Enrichment factor 1%,23.25, +Dekois,LightGBM_Ranker,AR,Enrichment factor 5%,15.5, +Dekois,LightGBM_Ranker,AR,RIE,11.712152721549534, +Dekois,LightGBM_Ranker,AR,AUPRC,0.7093658868453949, +Dekois,LightGBM_Ranker,AR,accuracy,0.532258064516129, +Dekois,LightGBM_Ranker,AR,F1 score,0.12121212121212122, +Dekois,LightGBM_Ranker,AR,recall,1.0, +Dekois,LightGBM_Ranker,AR,precision,0.06451612903225806, +Dekois,LightGBM_Ranker,AR,MCC,0.18257418583505536, Dekois,RandomForest,AURKA,AUROC,0.952, Dekois,RandomForest,AURKA,BEDROC,0.8145353985861841, Dekois,RandomForest,AURKA,Enrichment factor 1%,23.25, @@ -3885,12 +6231,29 @@ Dekois,LogisticRegression,AURKA,F1 score,0.6363636363636364, Dekois,LogisticRegression,AURKA,recall,0.7, Dekois,LogisticRegression,AURKA,precision,0.5833333333333334, Dekois,LogisticRegression,AURKA,MCC,0.6258849067362454, -Dekois,SimilaritySearch,AURKA,AUROC,0.8546666666666667, -Dekois,SimilaritySearch,AURKA,BEDROC,0.3524566948009983, -Dekois,SimilaritySearch,AURKA,Enrichment factor 1%,7.75, -Dekois,SimilaritySearch,AURKA,Enrichment factor 5%,5.8125, -Dekois,SimilaritySearch,AURKA,RIE,5.19453652682225, -Dekois,SimilaritySearch,AURKA,AUPRC,0.1751681857552076, +Dekois,SimilaritySearch_Mean,AURKA,AUROC,0.8546666666666667, +Dekois,SimilaritySearch_Mean,AURKA,BEDROC,0.3524566948009983, +Dekois,SimilaritySearch_Mean,AURKA,Enrichment factor 1%,7.75, +Dekois,SimilaritySearch_Mean,AURKA,Enrichment factor 5%,5.8125, +Dekois,SimilaritySearch_Mean,AURKA,RIE,5.19453652682225, +Dekois,SimilaritySearch_Mean,AURKA,AUPRC,0.1751681857552076, +Dekois,SimilaritySearch_Max,AURKA,AUROC,0.9300000000000002, +Dekois,SimilaritySearch_Max,AURKA,BEDROC,0.7117394088386594, +Dekois,SimilaritySearch_Max,AURKA,Enrichment factor 1%,23.25, +Dekois,SimilaritySearch_Max,AURKA,Enrichment factor 5%,15.5, +Dekois,SimilaritySearch_Max,AURKA,RIE,10.489675442463298, +Dekois,SimilaritySearch_Max,AURKA,AUPRC,0.5417963804583522, +Dekois,LightGBM_Ranker,AURKA,AUROC,0.94, +Dekois,LightGBM_Ranker,AURKA,BEDROC,0.8414428522330063, +Dekois,LightGBM_Ranker,AURKA,Enrichment factor 1%,31.0, +Dekois,LightGBM_Ranker,AURKA,Enrichment factor 5%,15.5, +Dekois,LightGBM_Ranker,AURKA,RIE,12.40125572110164, +Dekois,LightGBM_Ranker,AURKA,AUPRC,0.7693744164332399, +Dekois,LightGBM_Ranker,AURKA,accuracy,0.5258064516129032, +Dekois,LightGBM_Ranker,AURKA,F1 score,0.10909090909090909, +Dekois,LightGBM_Ranker,AURKA,recall,0.9, +Dekois,LightGBM_Ranker,AURKA,precision,0.05806451612903226, +Dekois,LightGBM_Ranker,AURKA,MCC,0.1460593486680443, Dekois,RandomForest,AURKB,AUROC,0.9592581331711766, Dekois,RandomForest,AURKB,BEDROC,0.6967721133666286, Dekois,RandomForest,AURKB,Enrichment factor 1%,21.136363636363637, @@ -3913,12 +6276,29 @@ Dekois,LogisticRegression,AURKB,F1 score,0.375, Dekois,LogisticRegression,AURKB,recall,0.2727272727272727, Dekois,LogisticRegression,AURKB,precision,0.6, Dekois,LogisticRegression,AURKB,MCC,0.39069800574079655, -Dekois,SimilaritySearch,AURKB,AUROC,0.8388567953785345, -Dekois,SimilaritySearch,AURKB,BEDROC,0.39822080892261635, -Dekois,SimilaritySearch,AURKB,Enrichment factor 1%,21.136363636363637, -Dekois,SimilaritySearch,AURKB,Enrichment factor 5%,5.284090909090909, -Dekois,SimilaritySearch,AURKB,RIE,5.703286848623959, -Dekois,SimilaritySearch,AURKB,AUPRC,0.33745958336875476, +Dekois,SimilaritySearch_Mean,AURKB,AUROC,0.8388567953785345, +Dekois,SimilaritySearch_Mean,AURKB,BEDROC,0.39822080892261635, +Dekois,SimilaritySearch_Mean,AURKB,Enrichment factor 1%,21.136363636363637, +Dekois,SimilaritySearch_Mean,AURKB,Enrichment factor 5%,5.284090909090909, +Dekois,SimilaritySearch_Mean,AURKB,RIE,5.703286848623959, +Dekois,SimilaritySearch_Mean,AURKB,AUPRC,0.33745958336875476, +Dekois,SimilaritySearch_Max,AURKB,AUROC,0.8792946184250532, +Dekois,SimilaritySearch_Max,AURKB,BEDROC,0.582520607653359, +Dekois,SimilaritySearch_Max,AURKB,Enrichment factor 1%,21.136363636363637, +Dekois,SimilaritySearch_Max,AURKB,Enrichment factor 5%,10.568181818181818, +Dekois,SimilaritySearch_Max,AURKB,RIE,8.342813924284746, +Dekois,SimilaritySearch_Max,AURKB,AUPRC,0.4700718083397243, +Dekois,LightGBM_Ranker,AURKB,AUROC,0.9820614168440256, +Dekois,LightGBM_Ranker,AURKB,BEDROC,0.7676681425679808, +Dekois,LightGBM_Ranker,AURKB,Enrichment factor 1%,21.136363636363637, +Dekois,LightGBM_Ranker,AURKB,Enrichment factor 5%,14.090909090909092, +Dekois,LightGBM_Ranker,AURKB,RIE,10.994482210222355, +Dekois,LightGBM_Ranker,AURKB,AUPRC,0.5714732450375324, +Dekois,LightGBM_Ranker,AURKB,accuracy,0.535483870967742, +Dekois,LightGBM_Ranker,AURKB,F1 score,0.13253012048192772, +Dekois,LightGBM_Ranker,AURKB,recall,1.0, +Dekois,LightGBM_Ranker,AURKB,precision,0.07096774193548387, +Dekois,LightGBM_Ranker,AURKB,MCC,0.19180536399919287, Dekois,RandomForest,BCL2,AUROC,0.6098360655737706, Dekois,RandomForest,BCL2,BEDROC,0.4390741993403122, Dekois,RandomForest,BCL2,Enrichment factor 1%,31.0, @@ -3941,12 +6321,29 @@ Dekois,LogisticRegression,BCL2,F1 score,0.5714285714285714, Dekois,LogisticRegression,BCL2,recall,0.4, Dekois,LogisticRegression,BCL2,precision,1.0, Dekois,LogisticRegression,BCL2,MCC,0.6293678543617366, -Dekois,SimilaritySearch,BCL2,AUROC,0.6472131147540984, -Dekois,SimilaritySearch,BCL2,BEDROC,0.38050343436578854, -Dekois,SimilaritySearch,BCL2,Enrichment factor 1%,15.5, -Dekois,SimilaritySearch,BCL2,Enrichment factor 5%,7.75, -Dekois,SimilaritySearch,BCL2,RIE,6.504627779607767, -Dekois,SimilaritySearch,BCL2,AUPRC,0.27031664537645894, +Dekois,SimilaritySearch_Mean,BCL2,AUROC,0.6472131147540984, +Dekois,SimilaritySearch_Mean,BCL2,BEDROC,0.38050343436578854, +Dekois,SimilaritySearch_Mean,BCL2,Enrichment factor 1%,15.5, +Dekois,SimilaritySearch_Mean,BCL2,Enrichment factor 5%,7.75, +Dekois,SimilaritySearch_Mean,BCL2,RIE,6.504627779607767, +Dekois,SimilaritySearch_Mean,BCL2,AUPRC,0.27031664537645894, +Dekois,SimilaritySearch_Max,BCL2,AUROC,0.6445901639344263, +Dekois,SimilaritySearch_Max,BCL2,BEDROC,0.4390510932899031, +Dekois,SimilaritySearch_Max,BCL2,Enrichment factor 1%,31.0, +Dekois,SimilaritySearch_Max,BCL2,Enrichment factor 5%,7.75, +Dekois,SimilaritySearch_Max,BCL2,RIE,7.505487933354602, +Dekois,SimilaritySearch_Max,BCL2,AUPRC,0.41287462906587946, +Dekois,LightGBM_Ranker,BCL2,AUROC,0.4963934426229508, +Dekois,LightGBM_Ranker,BCL2,BEDROC,0.439044683075749, +Dekois,LightGBM_Ranker,BCL2,Enrichment factor 1%,31.0, +Dekois,LightGBM_Ranker,BCL2,Enrichment factor 5%,7.75, +Dekois,LightGBM_Ranker,BCL2,RIE,7.505378352065756, +Dekois,LightGBM_Ranker,BCL2,AUPRC,0.4091591636956916, +Dekois,LightGBM_Ranker,BCL2,accuracy,0.4967741935483871, +Dekois,LightGBM_Ranker,BCL2,F1 score,0.025, +Dekois,LightGBM_Ranker,BCL2,recall,0.4, +Dekois,LightGBM_Ranker,BCL2,precision,0.012903225806451613, +Dekois,LightGBM_Ranker,BCL2,MCC,-0.025607375986579195, Dekois,RandomForest,CATL,AUROC,0.9508196721311475, Dekois,RandomForest,CATL,BEDROC,0.6828478073932661, Dekois,RandomForest,CATL,Enrichment factor 1%,46.5, @@ -3969,12 +6366,29 @@ Dekois,LogisticRegression,CATL,F1 score,0.75, Dekois,LogisticRegression,CATL,recall,0.6, Dekois,LogisticRegression,CATL,precision,1.0, Dekois,LogisticRegression,CATL,MCC,0.7720694303051548, -Dekois,SimilaritySearch,CATL,AUROC,0.8688524590163935, -Dekois,SimilaritySearch,CATL,BEDROC,0.5156503815298374, -Dekois,SimilaritySearch,CATL,Enrichment factor 1%,31.0, -Dekois,SimilaritySearch,CATL,Enrichment factor 5%,7.75, -Dekois,SimilaritySearch,CATL,RIE,8.81493696707407, -Dekois,SimilaritySearch,CATL,AUPRC,0.4518553960659224, +Dekois,SimilaritySearch_Mean,CATL,AUROC,0.8688524590163935, +Dekois,SimilaritySearch_Mean,CATL,BEDROC,0.5156503815298374, +Dekois,SimilaritySearch_Mean,CATL,Enrichment factor 1%,31.0, +Dekois,SimilaritySearch_Mean,CATL,Enrichment factor 5%,7.75, +Dekois,SimilaritySearch_Mean,CATL,RIE,8.81493696707407, +Dekois,SimilaritySearch_Mean,CATL,AUPRC,0.4518553960659224, +Dekois,SimilaritySearch_Max,CATL,AUROC,0.9390163934426229, +Dekois,SimilaritySearch_Max,CATL,BEDROC,0.7075568144632975, +Dekois,SimilaritySearch_Max,CATL,Enrichment factor 1%,46.5, +Dekois,SimilaritySearch_Max,CATL,Enrichment factor 5%,11.625, +Dekois,SimilaritySearch_Max,CATL,RIE,12.095537857021514, +Dekois,SimilaritySearch_Max,CATL,AUPRC,0.6089635854341736, +Dekois,LightGBM_Ranker,CATL,AUROC,0.8157377049180328, +Dekois,LightGBM_Ranker,CATL,BEDROC,0.6932128345091125, +Dekois,LightGBM_Ranker,CATL,Enrichment factor 1%,46.5, +Dekois,LightGBM_Ranker,CATL,Enrichment factor 5%,11.625, +Dekois,LightGBM_Ranker,CATL,RIE,11.850330478176616, +Dekois,LightGBM_Ranker,CATL,AUPRC,0.5340821937631139, +Dekois,LightGBM_Ranker,CATL,accuracy,0.5096774193548387, +Dekois,LightGBM_Ranker,CATL,F1 score,0.05, +Dekois,LightGBM_Ranker,CATL,recall,0.8, +Dekois,LightGBM_Ranker,CATL,precision,0.025806451612903226, +Dekois,LightGBM_Ranker,CATL,MCC,0.07682212795973759, Dekois,RandomForest,CDK2,AUROC,0.8273275862068966, Dekois,RandomForest,CDK2,BEDROC,0.3792068706811096, Dekois,RandomForest,CDK2,Enrichment factor 1%,7.75, @@ -3997,12 +6411,29 @@ Dekois,LogisticRegression,CDK2,F1 score,0.0, Dekois,LogisticRegression,CDK2,recall,0.0, Dekois,LogisticRegression,CDK2,precision,0.0, Dekois,LogisticRegression,CDK2,MCC,0.0, -Dekois,SimilaritySearch,CDK2,AUROC,0.7174137931034483, -Dekois,SimilaritySearch,CDK2,BEDROC,0.22965143565421606, -Dekois,SimilaritySearch,CDK2,Enrichment factor 1%,3.875, -Dekois,SimilaritySearch,CDK2,Enrichment factor 5%,2.90625, -Dekois,SimilaritySearch,CDK2,RIE,2.5800602302413975, -Dekois,SimilaritySearch,CDK2,AUPRC,0.18526211133466094, +Dekois,SimilaritySearch_Mean,CDK2,AUROC,0.7174137931034483, +Dekois,SimilaritySearch_Mean,CDK2,BEDROC,0.22965143565421606, +Dekois,SimilaritySearch_Mean,CDK2,Enrichment factor 1%,3.875, +Dekois,SimilaritySearch_Mean,CDK2,Enrichment factor 5%,2.90625, +Dekois,SimilaritySearch_Mean,CDK2,RIE,2.5800602302413975, +Dekois,SimilaritySearch_Mean,CDK2,AUPRC,0.18526211133466094, +Dekois,SimilaritySearch_Max,CDK2,AUROC,0.7539655172413793, +Dekois,SimilaritySearch_Max,CDK2,BEDROC,0.2863756404804209, +Dekois,SimilaritySearch_Max,CDK2,Enrichment factor 1%,0.0, +Dekois,SimilaritySearch_Max,CDK2,Enrichment factor 5%,3.875, +Dekois,SimilaritySearch_Max,CDK2,RIE,3.2173384591970886, +Dekois,SimilaritySearch_Max,CDK2,AUPRC,0.1833626064846239, +Dekois,LightGBM_Ranker,CDK2,AUROC,0.8274137931034483, +Dekois,LightGBM_Ranker,CDK2,BEDROC,0.41612629726741146, +Dekois,LightGBM_Ranker,CDK2,Enrichment factor 1%,7.75, +Dekois,LightGBM_Ranker,CDK2,Enrichment factor 5%,6.78125, +Dekois,LightGBM_Ranker,CDK2,RIE,4.6750454295529265, +Dekois,LightGBM_Ranker,CDK2,AUPRC,0.2779674203055124, +Dekois,LightGBM_Ranker,CDK2,accuracy,0.5516129032258065, +Dekois,LightGBM_Ranker,CDK2,F1 score,0.2057142857142857, +Dekois,LightGBM_Ranker,CDK2,recall,0.9, +Dekois,LightGBM_Ranker,CDK2,precision,0.11612903225806452, +Dekois,LightGBM_Ranker,CDK2,MCC,0.21009029257555611, Dekois,RandomForest,COX1,AUROC,0.9229586129753915, Dekois,RandomForest,COX1,BEDROC,0.6534509416851759, Dekois,RandomForest,COX1,Enrichment factor 1%,19.375, @@ -4025,12 +6456,29 @@ Dekois,LogisticRegression,COX1,F1 score,0.42105263157894735, Dekois,LogisticRegression,COX1,recall,0.3333333333333333, Dekois,LogisticRegression,COX1,precision,0.5714285714285714, Dekois,LogisticRegression,COX1,MCC,0.4197481056002297, -Dekois,SimilaritySearch,COX1,AUROC,0.770413870246085, -Dekois,SimilaritySearch,COX1,BEDROC,0.1788541989771275, -Dekois,SimilaritySearch,COX1,Enrichment factor 1%,6.458333333333333, -Dekois,SimilaritySearch,COX1,Enrichment factor 5%,1.6145833333333333, -Dekois,SimilaritySearch,COX1,RIE,2.490047047976268, -Dekois,SimilaritySearch,COX1,AUPRC,0.129434780594946, +Dekois,SimilaritySearch_Mean,COX1,AUROC,0.770413870246085, +Dekois,SimilaritySearch_Mean,COX1,BEDROC,0.1788541989771275, +Dekois,SimilaritySearch_Mean,COX1,Enrichment factor 1%,6.458333333333333, +Dekois,SimilaritySearch_Mean,COX1,Enrichment factor 5%,1.6145833333333333, +Dekois,SimilaritySearch_Mean,COX1,RIE,2.490047047976268, +Dekois,SimilaritySearch_Mean,COX1,AUPRC,0.129434780594946, +Dekois,SimilaritySearch_Max,COX1,AUROC,0.8614373601789709, +Dekois,SimilaritySearch_Max,COX1,BEDROC,0.660300384876317, +Dekois,SimilaritySearch_Max,COX1,Enrichment factor 1%,19.375, +Dekois,SimilaritySearch_Max,COX1,Enrichment factor 5%,11.302083333333334, +Dekois,SimilaritySearch_Max,COX1,RIE,9.192845365545457, +Dekois,SimilaritySearch_Max,COX1,AUPRC,0.5441526072871313, +Dekois,LightGBM_Ranker,COX1,AUROC,0.8864653243847874, +Dekois,LightGBM_Ranker,COX1,BEDROC,0.5375282108711072, +Dekois,LightGBM_Ranker,COX1,Enrichment factor 1%,19.375, +Dekois,LightGBM_Ranker,COX1,Enrichment factor 5%,8.072916666666666, +Dekois,LightGBM_Ranker,COX1,RIE,7.483584506349984, +Dekois,LightGBM_Ranker,COX1,AUPRC,0.43992547146176797, +Dekois,LightGBM_Ranker,COX1,accuracy,0.532258064516129, +Dekois,LightGBM_Ranker,COX1,F1 score,0.1317365269461078, +Dekois,LightGBM_Ranker,COX1,recall,0.9166666666666666, +Dekois,LightGBM_Ranker,COX1,precision,0.07096774193548387, +Dekois,LightGBM_Ranker,COX1,MCC,0.16722501552266278, Dekois,RandomForest,COX2,AUROC,0.9755700325732899, Dekois,RandomForest,COX2,BEDROC,0.7634074456866158, Dekois,RandomForest,COX2,Enrichment factor 1%,51.666666666666664, @@ -4053,12 +6501,29 @@ Dekois,LogisticRegression,COX2,F1 score,0.75, Dekois,LogisticRegression,COX2,recall,1.0, Dekois,LogisticRegression,COX2,precision,0.6, Dekois,LogisticRegression,COX2,MCC,0.7720694303051548, -Dekois,SimilaritySearch,COX2,AUROC,0.9826275787187839, -Dekois,SimilaritySearch,COX2,BEDROC,0.7447899466702589, -Dekois,SimilaritySearch,COX2,Enrichment factor 1%,25.833333333333332, -Dekois,SimilaritySearch,COX2,Enrichment factor 5%,19.375, -Dekois,SimilaritySearch,COX2,RIE,13.542940549444435, -Dekois,SimilaritySearch,COX2,AUPRC,0.4935897435897436, +Dekois,SimilaritySearch_Mean,COX2,AUROC,0.9826275787187839, +Dekois,SimilaritySearch_Mean,COX2,BEDROC,0.7447899466702589, +Dekois,SimilaritySearch_Mean,COX2,Enrichment factor 1%,25.833333333333332, +Dekois,SimilaritySearch_Mean,COX2,Enrichment factor 5%,19.375, +Dekois,SimilaritySearch_Mean,COX2,RIE,13.542940549444435, +Dekois,SimilaritySearch_Mean,COX2,AUPRC,0.4935897435897436, +Dekois,SimilaritySearch_Max,COX2,AUROC,0.993485342019544, +Dekois,SimilaritySearch_Max,COX2,BEDROC,0.8865089696952418, +Dekois,SimilaritySearch_Max,COX2,Enrichment factor 1%,25.833333333333332, +Dekois,SimilaritySearch_Max,COX2,Enrichment factor 5%,19.375, +Dekois,SimilaritySearch_Max,COX2,RIE,16.119898395999055, +Dekois,SimilaritySearch_Max,COX2,AUPRC,0.6333333333333333, +Dekois,LightGBM_Ranker,COX2,AUROC,0.9815418023887079, +Dekois,LightGBM_Ranker,COX2,BEDROC,0.7782899147875681, +Dekois,LightGBM_Ranker,COX2,Enrichment factor 1%,51.666666666666664, +Dekois,LightGBM_Ranker,COX2,Enrichment factor 5%,12.916666666666666, +Dekois,LightGBM_Ranker,COX2,RIE,14.15208958149789, +Dekois,LightGBM_Ranker,COX2,AUPRC,0.6081871345029239, +Dekois,LightGBM_Ranker,COX2,accuracy,0.5096774193548387, +Dekois,LightGBM_Ranker,COX2,F1 score,0.0379746835443038, +Dekois,LightGBM_Ranker,COX2,recall,1.0, +Dekois,LightGBM_Ranker,COX2,precision,0.01935483870967742, +Dekois,LightGBM_Ranker,COX2,MCC,0.09885336094784052, Dekois,RandomForest,CYP2A6,AUROC,0.6501623376623377, Dekois,RandomForest,CYP2A6,BEDROC,0.5161243697254702, Dekois,RandomForest,CYP2A6,Enrichment factor 1%,38.75, @@ -4081,12 +6546,29 @@ Dekois,LogisticRegression,CYP2A6,F1 score,0.0, Dekois,LogisticRegression,CYP2A6,recall,0.0, Dekois,LogisticRegression,CYP2A6,precision,0.0, Dekois,LogisticRegression,CYP2A6,MCC,-0.004584166676875988, -Dekois,SimilaritySearch,CYP2A6,AUROC,0.6461038961038961, -Dekois,SimilaritySearch,CYP2A6,BEDROC,0.35046146881660895, -Dekois,SimilaritySearch,CYP2A6,Enrichment factor 1%,0.0, -Dekois,SimilaritySearch,CYP2A6,Enrichment factor 5%,9.6875, -Dekois,SimilaritySearch,CYP2A6,RIE,6.5758593288183524, -Dekois,SimilaritySearch,CYP2A6,AUPRC,0.07610146862483311, +Dekois,SimilaritySearch_Mean,CYP2A6,AUROC,0.6461038961038961, +Dekois,SimilaritySearch_Mean,CYP2A6,BEDROC,0.35046146881660895, +Dekois,SimilaritySearch_Mean,CYP2A6,Enrichment factor 1%,0.0, +Dekois,SimilaritySearch_Mean,CYP2A6,Enrichment factor 5%,9.6875, +Dekois,SimilaritySearch_Mean,CYP2A6,RIE,6.5758593288183524, +Dekois,SimilaritySearch_Mean,CYP2A6,AUPRC,0.07610146862483311, +Dekois,SimilaritySearch_Max,CYP2A6,AUROC,0.5925324675324675, +Dekois,SimilaritySearch_Max,CYP2A6,BEDROC,0.5161234837912348, +Dekois,SimilaritySearch_Max,CYP2A6,Enrichment factor 1%,38.75, +Dekois,SimilaritySearch_Max,CYP2A6,Enrichment factor 5%,9.6875, +Dekois,SimilaritySearch_Max,CYP2A6,RIE,9.684246972660958, +Dekois,SimilaritySearch_Max,CYP2A6,AUPRC,0.5039525691699605, +Dekois,LightGBM_Ranker,CYP2A6,AUROC,0.8685064935064934, +Dekois,LightGBM_Ranker,CYP2A6,BEDROC,0.5187247703009727, +Dekois,LightGBM_Ranker,CYP2A6,Enrichment factor 1%,38.75, +Dekois,LightGBM_Ranker,CYP2A6,Enrichment factor 5%,9.6875, +Dekois,LightGBM_Ranker,CYP2A6,RIE,9.733056030345077, +Dekois,LightGBM_Ranker,CYP2A6,AUPRC,0.5120481927710844, +Dekois,LightGBM_Ranker,CYP2A6,accuracy,0.5064516129032258, +Dekois,LightGBM_Ranker,CYP2A6,F1 score,0.025477707006369428, +Dekois,LightGBM_Ranker,CYP2A6,recall,1.0, +Dekois,LightGBM_Ranker,CYP2A6,precision,0.012903225806451613, +Dekois,LightGBM_Ranker,CYP2A6,MCC,0.08058229640253803, Dekois,RandomForest,DHFR,AUROC,0.7526762643041713, Dekois,RandomForest,DHFR,BEDROC,0.496679696058626, Dekois,RandomForest,DHFR,Enrichment factor 1%,25.833333333333332, @@ -4109,12 +6591,29 @@ Dekois,LogisticRegression,DHFR,F1 score,0.5333333333333333, Dekois,LogisticRegression,DHFR,recall,0.4444444444444444, Dekois,LogisticRegression,DHFR,precision,0.6666666666666666, Dekois,LogisticRegression,DHFR,MCC,0.5335409644699758, -Dekois,SimilaritySearch,DHFR,AUROC,0.589516426725729, -Dekois,SimilaritySearch,DHFR,BEDROC,0.36106901103726213, -Dekois,SimilaritySearch,DHFR,Enrichment factor 1%,8.61111111111111, -Dekois,SimilaritySearch,DHFR,Enrichment factor 5%,8.61111111111111, -Dekois,SimilaritySearch,DHFR,RIE,5.4779565389357305, -Dekois,SimilaritySearch,DHFR,AUPRC,0.21556651003730057, +Dekois,SimilaritySearch_Mean,DHFR,AUROC,0.589516426725729, +Dekois,SimilaritySearch_Mean,DHFR,BEDROC,0.36106901103726213, +Dekois,SimilaritySearch_Mean,DHFR,Enrichment factor 1%,8.61111111111111, +Dekois,SimilaritySearch_Mean,DHFR,Enrichment factor 5%,8.61111111111111, +Dekois,SimilaritySearch_Mean,DHFR,RIE,5.4779565389357305, +Dekois,SimilaritySearch_Mean,DHFR,AUPRC,0.21556651003730057, +Dekois,SimilaritySearch_Max,DHFR,AUROC,0.589516426725729, +Dekois,SimilaritySearch_Max,DHFR,BEDROC,0.4113026872757599, +Dekois,SimilaritySearch_Max,DHFR,Enrichment factor 1%,17.22222222222222, +Dekois,SimilaritySearch_Max,DHFR,Enrichment factor 5%,8.61111111111111, +Dekois,SimilaritySearch_Max,DHFR,RIE,6.24007647724763, +Dekois,SimilaritySearch_Max,DHFR,AUPRC,0.26984713044168657, +Dekois,LightGBM_Ranker,DHFR,AUROC,0.7630121816168327, +Dekois,LightGBM_Ranker,DHFR,BEDROC,0.49986315872988146, +Dekois,LightGBM_Ranker,DHFR,Enrichment factor 1%,25.833333333333332, +Dekois,LightGBM_Ranker,DHFR,Enrichment factor 5%,8.61111111111111, +Dekois,LightGBM_Ranker,DHFR,RIE,7.58367117497677, +Dekois,LightGBM_Ranker,DHFR,AUPRC,0.4121599275484018, +Dekois,LightGBM_Ranker,DHFR,accuracy,0.5225806451612903, +Dekois,LightGBM_Ranker,DHFR,F1 score,0.0975609756097561, +Dekois,LightGBM_Ranker,DHFR,recall,0.8888888888888888, +Dekois,LightGBM_Ranker,DHFR,precision,0.05161290322580645, +Dekois,LightGBM_Ranker,DHFR,MCC,0.13449109746432147, Dekois,RandomForest,EGFR,AUROC,0.772609819121447, Dekois,RandomForest,EGFR,BEDROC,0.6250982479185453, Dekois,RandomForest,EGFR,Enrichment factor 1%,34.44444444444444, @@ -4137,12 +6636,29 @@ Dekois,LogisticRegression,EGFR,F1 score,0.5882352941176471, Dekois,LogisticRegression,EGFR,recall,0.5555555555555556, Dekois,LogisticRegression,EGFR,precision,0.625, Dekois,LogisticRegression,EGFR,MCC,0.5777254061484695, -Dekois,SimilaritySearch,EGFR,AUROC,0.7788851974898487, -Dekois,SimilaritySearch,EGFR,BEDROC,0.3818005712453541, -Dekois,SimilaritySearch,EGFR,Enrichment factor 1%,17.22222222222222, -Dekois,SimilaritySearch,EGFR,Enrichment factor 5%,6.458333333333333, -Dekois,SimilaritySearch,EGFR,RIE,5.792485288770524, -Dekois,SimilaritySearch,EGFR,AUPRC,0.2830012978719875, +Dekois,SimilaritySearch_Mean,EGFR,AUROC,0.7788851974898487, +Dekois,SimilaritySearch_Mean,EGFR,BEDROC,0.3818005712453541, +Dekois,SimilaritySearch_Mean,EGFR,Enrichment factor 1%,17.22222222222222, +Dekois,SimilaritySearch_Mean,EGFR,Enrichment factor 5%,6.458333333333333, +Dekois,SimilaritySearch_Mean,EGFR,RIE,5.792485288770524, +Dekois,SimilaritySearch_Mean,EGFR,AUPRC,0.2830012978719875, +Dekois,SimilaritySearch_Max,EGFR,AUROC,0.8132152085640457, +Dekois,SimilaritySearch_Max,EGFR,BEDROC,0.5017004364918201, +Dekois,SimilaritySearch_Max,EGFR,Enrichment factor 1%,8.61111111111111, +Dekois,SimilaritySearch_Max,EGFR,Enrichment factor 5%,8.61111111111111, +Dekois,SimilaritySearch_Max,EGFR,RIE,7.611545424274044, +Dekois,SimilaritySearch_Max,EGFR,AUPRC,0.33042630194497136, +Dekois,LightGBM_Ranker,EGFR,AUROC,0.8733850129198966, +Dekois,LightGBM_Ranker,EGFR,BEDROC,0.6615505060084148, +Dekois,LightGBM_Ranker,EGFR,Enrichment factor 1%,17.22222222222222, +Dekois,LightGBM_Ranker,EGFR,Enrichment factor 5%,12.916666666666666, +Dekois,LightGBM_Ranker,EGFR,RIE,10.036709860592497, +Dekois,LightGBM_Ranker,EGFR,AUPRC,0.5273463940130606, +Dekois,LightGBM_Ranker,EGFR,accuracy,0.5225806451612903, +Dekois,LightGBM_Ranker,EGFR,F1 score,0.0975609756097561, +Dekois,LightGBM_Ranker,EGFR,recall,0.8888888888888888, +Dekois,LightGBM_Ranker,EGFR,precision,0.05161290322580645, +Dekois,LightGBM_Ranker,EGFR,MCC,0.13449109746432147, Dekois,RandomForest,EPHB4,AUROC,0.9849127769919849, Dekois,RandomForest,EPHB4,BEDROC,0.8287477789530289, Dekois,RandomForest,EPHB4,Enrichment factor 1%,44.285714285714285, @@ -4165,12 +6681,29 @@ Dekois,LogisticRegression,EPHB4,F1 score,0.6, Dekois,LogisticRegression,EPHB4,recall,0.42857142857142855, Dekois,LogisticRegression,EPHB4,precision,1.0, Dekois,LogisticRegression,EPHB4,MCC,0.6503748426997711, -Dekois,SimilaritySearch,EPHB4,AUROC,0.9448373408769448, -Dekois,SimilaritySearch,EPHB4,BEDROC,0.5995204608555412, -Dekois,SimilaritySearch,EPHB4,Enrichment factor 1%,22.142857142857142, -Dekois,SimilaritySearch,EPHB4,Enrichment factor 5%,13.839285714285714, -Dekois,SimilaritySearch,EPHB4,RIE,9.648325203691142, -Dekois,SimilaritySearch,EPHB4,AUPRC,0.46034044715447153, +Dekois,SimilaritySearch_Mean,EPHB4,AUROC,0.9448373408769448, +Dekois,SimilaritySearch_Mean,EPHB4,BEDROC,0.5995204608555412, +Dekois,SimilaritySearch_Mean,EPHB4,Enrichment factor 1%,22.142857142857142, +Dekois,SimilaritySearch_Mean,EPHB4,Enrichment factor 5%,13.839285714285714, +Dekois,SimilaritySearch_Mean,EPHB4,RIE,9.648325203691142, +Dekois,SimilaritySearch_Mean,EPHB4,AUPRC,0.46034044715447153, +Dekois,SimilaritySearch_Max,EPHB4,AUROC,0.965110796793965, +Dekois,SimilaritySearch_Max,EPHB4,BEDROC,0.8239813638185411, +Dekois,SimilaritySearch_Max,EPHB4,Enrichment factor 1%,33.214285714285715, +Dekois,SimilaritySearch_Max,EPHB4,Enrichment factor 5%,16.607142857142858, +Dekois,SimilaritySearch_Max,EPHB4,RIE,13.260665260467224, +Dekois,SimilaritySearch_Max,EPHB4,AUPRC,0.7178111842495405, +Dekois,LightGBM_Ranker,EPHB4,AUROC,0.9325789721829326, +Dekois,LightGBM_Ranker,EPHB4,BEDROC,0.635621764842783, +Dekois,LightGBM_Ranker,EPHB4,Enrichment factor 1%,33.214285714285715, +Dekois,LightGBM_Ranker,EPHB4,Enrichment factor 5%,11.071428571428571, +Dekois,LightGBM_Ranker,EPHB4,RIE,10.22931808384747, +Dekois,LightGBM_Ranker,EPHB4,AUPRC,0.558207391064534, +Dekois,LightGBM_Ranker,EPHB4,accuracy,0.5225806451612903, +Dekois,LightGBM_Ranker,EPHB4,F1 score,0.08641975308641975, +Dekois,LightGBM_Ranker,EPHB4,recall,1.0, +Dekois,LightGBM_Ranker,EPHB4,precision,0.04516129032258064, +Dekois,LightGBM_Ranker,EPHB4,MCC,0.15199444144778157, Dekois,RandomForest,FGFR1,AUROC,0.9528333333333334, Dekois,RandomForest,FGFR1,BEDROC,0.7400177021309327, Dekois,RandomForest,FGFR1,Enrichment factor 1%,23.25, @@ -4193,12 +6726,29 @@ Dekois,LogisticRegression,FGFR1,F1 score,0.5333333333333333, Dekois,LogisticRegression,FGFR1,recall,0.4, Dekois,LogisticRegression,FGFR1,precision,0.8, Dekois,LogisticRegression,FGFR1,MCC,0.5563542528324995, -Dekois,SimilaritySearch,FGFR1,AUROC,0.8966666666666667, -Dekois,SimilaritySearch,FGFR1,BEDROC,0.46780888024248407, -Dekois,SimilaritySearch,FGFR1,Enrichment factor 1%,7.75, -Dekois,SimilaritySearch,FGFR1,Enrichment factor 5%,9.6875, -Dekois,SimilaritySearch,FGFR1,RIE,6.894606756394796, -Dekois,SimilaritySearch,FGFR1,AUPRC,0.25975335038900643, +Dekois,SimilaritySearch_Mean,FGFR1,AUROC,0.8966666666666667, +Dekois,SimilaritySearch_Mean,FGFR1,BEDROC,0.46780888024248407, +Dekois,SimilaritySearch_Mean,FGFR1,Enrichment factor 1%,7.75, +Dekois,SimilaritySearch_Mean,FGFR1,Enrichment factor 5%,9.6875, +Dekois,SimilaritySearch_Mean,FGFR1,RIE,6.894606756394796, +Dekois,SimilaritySearch_Mean,FGFR1,AUPRC,0.25975335038900643, +Dekois,SimilaritySearch_Max,FGFR1,AUROC,0.923, +Dekois,SimilaritySearch_Max,FGFR1,BEDROC,0.611302414905771, +Dekois,SimilaritySearch_Max,FGFR1,Enrichment factor 1%,23.25, +Dekois,SimilaritySearch_Max,FGFR1,Enrichment factor 5%,9.6875, +Dekois,SimilaritySearch_Max,FGFR1,RIE,9.009426562222727, +Dekois,SimilaritySearch_Max,FGFR1,AUPRC,0.4701599949702417, +Dekois,LightGBM_Ranker,FGFR1,AUROC,0.9483333333333334, +Dekois,LightGBM_Ranker,FGFR1,BEDROC,0.7054575511910487, +Dekois,LightGBM_Ranker,FGFR1,Enrichment factor 1%,31.0, +Dekois,LightGBM_Ranker,FGFR1,Enrichment factor 5%,13.5625, +Dekois,LightGBM_Ranker,FGFR1,RIE,10.397092895091163, +Dekois,LightGBM_Ranker,FGFR1,AUPRC,0.6130671530799408, +Dekois,LightGBM_Ranker,FGFR1,accuracy,0.532258064516129, +Dekois,LightGBM_Ranker,FGFR1,F1 score,0.12121212121212122, +Dekois,LightGBM_Ranker,FGFR1,recall,1.0, +Dekois,LightGBM_Ranker,FGFR1,precision,0.06451612903225806, +Dekois,LightGBM_Ranker,FGFR1,MCC,0.18257418583505536, Dekois,RandomForest,FXA,AUROC,0.9573944573944574, Dekois,RandomForest,FXA,BEDROC,0.8134020771431576, Dekois,RandomForest,FXA,Enrichment factor 1%,17.884615384615383, @@ -4221,12 +6771,29 @@ Dekois,LogisticRegression,FXA,F1 score,0.6363636363636364, Dekois,LogisticRegression,FXA,recall,0.5384615384615384, Dekois,LogisticRegression,FXA,precision,0.7777777777777778, Dekois,LogisticRegression,FXA,MCC,0.6347965328424195, -Dekois,SimilaritySearch,FXA,AUROC,0.8280238280238281, -Dekois,SimilaritySearch,FXA,BEDROC,0.3171500592740379, -Dekois,SimilaritySearch,FXA,Enrichment factor 1%,5.961538461538462, -Dekois,SimilaritySearch,FXA,Enrichment factor 5%,4.471153846153846, -Dekois,SimilaritySearch,FXA,RIE,4.2936493306003545, -Dekois,SimilaritySearch,FXA,AUPRC,0.18030977184307123, +Dekois,SimilaritySearch_Mean,FXA,AUROC,0.8280238280238281, +Dekois,SimilaritySearch_Mean,FXA,BEDROC,0.3171500592740379, +Dekois,SimilaritySearch_Mean,FXA,Enrichment factor 1%,5.961538461538462, +Dekois,SimilaritySearch_Mean,FXA,Enrichment factor 5%,4.471153846153846, +Dekois,SimilaritySearch_Mean,FXA,RIE,4.2936493306003545, +Dekois,SimilaritySearch_Mean,FXA,AUPRC,0.18030977184307123, +Dekois,SimilaritySearch_Max,FXA,AUROC,0.8952343952343954, +Dekois,SimilaritySearch_Max,FXA,BEDROC,0.37398601691916733, +Dekois,SimilaritySearch_Max,FXA,Enrichment factor 1%,5.961538461538462, +Dekois,SimilaritySearch_Max,FXA,Enrichment factor 5%,4.471153846153846, +Dekois,SimilaritySearch_Max,FXA,RIE,5.063107385839831, +Dekois,SimilaritySearch_Max,FXA,AUPRC,0.28328942198966545, +Dekois,LightGBM_Ranker,FXA,AUROC,0.951048951048951, +Dekois,LightGBM_Ranker,FXA,BEDROC,0.7779324128140613, +Dekois,LightGBM_Ranker,FXA,Enrichment factor 1%,17.884615384615383, +Dekois,LightGBM_Ranker,FXA,Enrichment factor 5%,14.903846153846153, +Dekois,LightGBM_Ranker,FXA,RIE,10.531825097028365, +Dekois,LightGBM_Ranker,FXA,AUPRC,0.6525032775032775, +Dekois,LightGBM_Ranker,FXA,accuracy,0.5419354838709678, +Dekois,LightGBM_Ranker,FXA,F1 score,0.15476190476190477, +Dekois,LightGBM_Ranker,FXA,recall,1.0, +Dekois,LightGBM_Ranker,FXA,precision,0.08387096774193549, +Dekois,LightGBM_Ranker,FXA,MCC,0.2092153048202826, Dekois,RandomForest,GBA,AUROC,0.9125412541254125, Dekois,RandomForest,GBA,BEDROC,0.7397404350400069, Dekois,RandomForest,GBA,Enrichment factor 1%,44.285714285714285, @@ -4249,12 +6816,29 @@ Dekois,LogisticRegression,GBA,F1 score,0.7272727272727273, Dekois,LogisticRegression,GBA,recall,0.5714285714285714, Dekois,LogisticRegression,GBA,precision,1.0, Dekois,LogisticRegression,GBA,MCC,0.7522142849828185, -Dekois,SimilaritySearch,GBA,AUROC,0.6643092880716643, -Dekois,SimilaritySearch,GBA,BEDROC,0.3169084635370722, -Dekois,SimilaritySearch,GBA,Enrichment factor 1%,22.142857142857142, -Dekois,SimilaritySearch,GBA,Enrichment factor 5%,5.535714285714286, -Dekois,SimilaritySearch,GBA,RIE,5.10013607604033, -Dekois,SimilaritySearch,GBA,AUPRC,0.24035034113283965, +Dekois,SimilaritySearch_Mean,GBA,AUROC,0.6643092880716643, +Dekois,SimilaritySearch_Mean,GBA,BEDROC,0.3169084635370722, +Dekois,SimilaritySearch_Mean,GBA,Enrichment factor 1%,22.142857142857142, +Dekois,SimilaritySearch_Mean,GBA,Enrichment factor 5%,5.535714285714286, +Dekois,SimilaritySearch_Mean,GBA,RIE,5.10013607604033, +Dekois,SimilaritySearch_Mean,GBA,AUPRC,0.24035034113283965, +Dekois,SimilaritySearch_Max,GBA,AUROC,0.8814238566713813, +Dekois,SimilaritySearch_Max,GBA,BEDROC,0.6755022125127, +Dekois,SimilaritySearch_Max,GBA,Enrichment factor 1%,44.285714285714285, +Dekois,SimilaritySearch_Max,GBA,Enrichment factor 5%,11.071428571428571, +Dekois,SimilaritySearch_Max,GBA,RIE,10.871130251127003, +Dekois,SimilaritySearch_Max,GBA,AUPRC,0.6234200926747511, +Dekois,LightGBM_Ranker,GBA,AUROC,0.899104196133899, +Dekois,LightGBM_Ranker,GBA,BEDROC,0.6901578037903843, +Dekois,LightGBM_Ranker,GBA,Enrichment factor 1%,44.285714285714285, +Dekois,LightGBM_Ranker,GBA,Enrichment factor 5%,11.071428571428571, +Dekois,LightGBM_Ranker,GBA,RIE,11.106988606543329, +Dekois,LightGBM_Ranker,GBA,AUPRC,0.6340528031253401, +Dekois,LightGBM_Ranker,GBA,accuracy,0.5161290322580645, +Dekois,LightGBM_Ranker,GBA,F1 score,0.07407407407407407, +Dekois,LightGBM_Ranker,GBA,recall,0.8571428571428571, +Dekois,LightGBM_Ranker,GBA,precision,0.03870967741935484, +Dekois,LightGBM_Ranker,GBA,MCC,0.10856745817698685, Dekois,RandomForest,GR,AUROC,1.0, Dekois,RandomForest,GR,BEDROC,1.0000000000000007, Dekois,RandomForest,GR,Enrichment factor 1%,51.666666666666664, @@ -4277,12 +6861,29 @@ Dekois,LogisticRegression,GR,F1 score,0.9230769230769231, Dekois,LogisticRegression,GR,recall,1.0, Dekois,LogisticRegression,GR,precision,0.8571428571428571, Dekois,LogisticRegression,GR,MCC,0.9242961150360185, -Dekois,SimilaritySearch,GR,AUROC,0.7828947368421053, -Dekois,SimilaritySearch,GR,BEDROC,0.5160544408637505, -Dekois,SimilaritySearch,GR,Enrichment factor 1%,25.833333333333332, -Dekois,SimilaritySearch,GR,Enrichment factor 5%,9.6875, -Dekois,SimilaritySearch,GR,RIE,8.558086251845651, -Dekois,SimilaritySearch,GR,AUPRC,0.35012126260684506, +Dekois,SimilaritySearch_Mean,GR,AUROC,0.7828947368421053, +Dekois,SimilaritySearch_Mean,GR,BEDROC,0.5160544408637505, +Dekois,SimilaritySearch_Mean,GR,Enrichment factor 1%,25.833333333333332, +Dekois,SimilaritySearch_Mean,GR,Enrichment factor 5%,9.6875, +Dekois,SimilaritySearch_Mean,GR,RIE,8.558086251845651, +Dekois,SimilaritySearch_Mean,GR,AUPRC,0.35012126260684506, +Dekois,SimilaritySearch_Max,GR,AUROC,0.999451754385965, +Dekois,SimilaritySearch_Max,GR,BEDROC,0.9911914879529505, +Dekois,SimilaritySearch_Max,GR,Enrichment factor 1%,51.666666666666664, +Dekois,SimilaritySearch_Max,GR,Enrichment factor 5%,19.375, +Dekois,SimilaritySearch_Max,GR,RIE,16.437611132423573, +Dekois,SimilaritySearch_Max,GR,AUPRC,0.9761904761904762, +Dekois,LightGBM_Ranker,GR,AUROC,0.9523026315789473, +Dekois,LightGBM_Ranker,GR,BEDROC,0.6995120415664853, +Dekois,LightGBM_Ranker,GR,Enrichment factor 1%,25.833333333333332, +Dekois,LightGBM_Ranker,GR,Enrichment factor 5%,12.916666666666666, +Dekois,LightGBM_Ranker,GR,RIE,11.600489992248882, +Dekois,LightGBM_Ranker,GR,AUPRC,0.5579441561650605, +Dekois,LightGBM_Ranker,GR,accuracy,0.5193548387096775, +Dekois,LightGBM_Ranker,GR,F1 score,0.07453416149068323, +Dekois,LightGBM_Ranker,GR,recall,1.0, +Dekois,LightGBM_Ranker,GR,precision,0.03870967741935484, +Dekois,LightGBM_Ranker,GR,MCC,0.1404878717372541, Dekois,RandomForest,GSK3B,AUROC,0.8018455098934552, Dekois,RandomForest,GSK3B,BEDROC,0.3883539876326166, Dekois,RandomForest,GSK3B,Enrichment factor 1%,12.916666666666666, @@ -4305,12 +6906,29 @@ Dekois,LogisticRegression,GSK3B,F1 score,0.4166666666666667, Dekois,LogisticRegression,GSK3B,recall,0.2777777777777778, Dekois,LogisticRegression,GSK3B,precision,0.8333333333333334, Dekois,LogisticRegression,GSK3B,MCC,0.4657202963185681, -Dekois,SimilaritySearch,GSK3B,AUROC,0.7427701674277016, -Dekois,SimilaritySearch,GSK3B,BEDROC,0.264565310151427, -Dekois,SimilaritySearch,GSK3B,Enrichment factor 1%,4.305555555555555, -Dekois,SimilaritySearch,GSK3B,Enrichment factor 5%,3.2291666666666665, -Dekois,SimilaritySearch,GSK3B,RIE,3.129875257708355, -Dekois,SimilaritySearch,GSK3B,AUPRC,0.198822141862724, +Dekois,SimilaritySearch_Mean,GSK3B,AUROC,0.7427701674277016, +Dekois,SimilaritySearch_Mean,GSK3B,BEDROC,0.264565310151427, +Dekois,SimilaritySearch_Mean,GSK3B,Enrichment factor 1%,4.305555555555555, +Dekois,SimilaritySearch_Mean,GSK3B,Enrichment factor 5%,3.2291666666666665, +Dekois,SimilaritySearch_Mean,GSK3B,RIE,3.129875257708355, +Dekois,SimilaritySearch_Mean,GSK3B,AUPRC,0.198822141862724, +Dekois,SimilaritySearch_Max,GSK3B,AUROC,0.7763508371385083, +Dekois,SimilaritySearch_Max,GSK3B,BEDROC,0.40877262410563686, +Dekois,SimilaritySearch_Max,GSK3B,Enrichment factor 1%,12.916666666666666, +Dekois,SimilaritySearch_Max,GSK3B,Enrichment factor 5%,5.381944444444445, +Dekois,SimilaritySearch_Max,GSK3B,RIE,4.835884607294399, +Dekois,SimilaritySearch_Max,GSK3B,AUPRC,0.3185352689823664, +Dekois,LightGBM_Ranker,GSK3B,AUROC,0.8270547945205479, +Dekois,LightGBM_Ranker,GSK3B,BEDROC,0.5017920147045584, +Dekois,LightGBM_Ranker,GSK3B,Enrichment factor 1%,17.22222222222222, +Dekois,LightGBM_Ranker,GSK3B,Enrichment factor 5%,6.458333333333333, +Dekois,LightGBM_Ranker,GSK3B,RIE,5.936327751980844, +Dekois,LightGBM_Ranker,GSK3B,AUPRC,0.41443535433523654, +Dekois,LightGBM_Ranker,GSK3B,accuracy,0.5516129032258065, +Dekois,LightGBM_Ranker,GSK3B,F1 score,0.19653179190751446, +Dekois,LightGBM_Ranker,GSK3B,recall,0.9444444444444444, +Dekois,LightGBM_Ranker,GSK3B,precision,0.10967741935483871, +Dekois,LightGBM_Ranker,GSK3B,MCC,0.22069490362729813, Dekois,RandomForest,HDAC2,AUROC,0.8606789250353607, Dekois,RandomForest,HDAC2,BEDROC,0.5663033275166615, Dekois,RandomForest,HDAC2,Enrichment factor 1%,22.142857142857142, @@ -4333,12 +6951,29 @@ Dekois,LogisticRegression,HDAC2,F1 score,0.4444444444444444, Dekois,LogisticRegression,HDAC2,recall,0.2857142857142857, Dekois,LogisticRegression,HDAC2,precision,1.0, Dekois,LogisticRegression,HDAC2,MCC,0.5301660747259792, -Dekois,SimilaritySearch,HDAC2,AUROC,0.8029231494578029, -Dekois,SimilaritySearch,HDAC2,BEDROC,0.3099361276831503, -Dekois,SimilaritySearch,HDAC2,Enrichment factor 1%,0.0, -Dekois,SimilaritySearch,HDAC2,Enrichment factor 5%,5.535714285714286, -Dekois,SimilaritySearch,HDAC2,RIE,4.987927456356705, -Dekois,SimilaritySearch,HDAC2,AUPRC,0.12696749938105295, +Dekois,SimilaritySearch_Mean,HDAC2,AUROC,0.8029231494578029, +Dekois,SimilaritySearch_Mean,HDAC2,BEDROC,0.3099361276831503, +Dekois,SimilaritySearch_Mean,HDAC2,Enrichment factor 1%,0.0, +Dekois,SimilaritySearch_Mean,HDAC2,Enrichment factor 5%,5.535714285714286, +Dekois,SimilaritySearch_Mean,HDAC2,RIE,4.987927456356705, +Dekois,SimilaritySearch_Mean,HDAC2,AUPRC,0.12696749938105295, +Dekois,SimilaritySearch_Max,HDAC2,AUROC,0.7972654408297972, +Dekois,SimilaritySearch_Max,HDAC2,BEDROC,0.5308786309655471, +Dekois,SimilaritySearch_Max,HDAC2,Enrichment factor 1%,33.214285714285715, +Dekois,SimilaritySearch_Max,HDAC2,Enrichment factor 5%,8.303571428571429, +Dekois,SimilaritySearch_Max,HDAC2,RIE,8.543644484648908, +Dekois,SimilaritySearch_Max,HDAC2,AUPRC,0.479115949612844, +Dekois,LightGBM_Ranker,HDAC2,AUROC,0.8118811881188119, +Dekois,LightGBM_Ranker,HDAC2,BEDROC,0.5234858753177722, +Dekois,LightGBM_Ranker,HDAC2,Enrichment factor 1%,33.214285714285715, +Dekois,LightGBM_Ranker,HDAC2,Enrichment factor 5%,8.303571428571429, +Dekois,LightGBM_Ranker,HDAC2,RIE,8.42466987925486, +Dekois,LightGBM_Ranker,HDAC2,AUPRC,0.47194336338504445, +Dekois,LightGBM_Ranker,HDAC2,accuracy,0.5225806451612903, +Dekois,LightGBM_Ranker,HDAC2,F1 score,0.08641975308641975, +Dekois,LightGBM_Ranker,HDAC2,recall,1.0, +Dekois,LightGBM_Ranker,HDAC2,precision,0.04516129032258064, +Dekois,LightGBM_Ranker,HDAC2,MCC,0.15199444144778157, Dekois,RandomForest,HIV1PR,AUROC,0.9002736394040742, Dekois,RandomForest,HIV1PR,BEDROC,0.79026068490063, Dekois,RandomForest,HIV1PR,Enrichment factor 1%,28.181818181818183, @@ -4361,12 +6996,29 @@ Dekois,LogisticRegression,HIV1PR,F1 score,0.5, Dekois,LogisticRegression,HIV1PR,recall,0.45454545454545453, Dekois,LogisticRegression,HIV1PR,precision,0.5555555555555556, Dekois,LogisticRegression,HIV1PR,MCC,0.4861059905767105, -Dekois,SimilaritySearch,HIV1PR,AUROC,0.7464274855579203, -Dekois,SimilaritySearch,HIV1PR,BEDROC,0.5892020569751889, -Dekois,SimilaritySearch,HIV1PR,Enrichment factor 1%,21.136363636363637, -Dekois,SimilaritySearch,HIV1PR,Enrichment factor 5%,8.806818181818182, -Dekois,SimilaritySearch,HIV1PR,RIE,8.438505110661954, -Dekois,SimilaritySearch,HIV1PR,AUPRC,0.47316545288010103, +Dekois,SimilaritySearch_Mean,HIV1PR,AUROC,0.7464274855579203, +Dekois,SimilaritySearch_Mean,HIV1PR,BEDROC,0.5892020569751889, +Dekois,SimilaritySearch_Mean,HIV1PR,Enrichment factor 1%,21.136363636363637, +Dekois,SimilaritySearch_Mean,HIV1PR,Enrichment factor 5%,8.806818181818182, +Dekois,SimilaritySearch_Mean,HIV1PR,RIE,8.438505110661954, +Dekois,SimilaritySearch_Mean,HIV1PR,AUPRC,0.47316545288010103, +Dekois,SimilaritySearch_Max,HIV1PR,AUROC,0.8756460930373975, +Dekois,SimilaritySearch_Max,HIV1PR,BEDROC,0.7554412292787658, +Dekois,SimilaritySearch_Max,HIV1PR,Enrichment factor 1%,21.136363636363637, +Dekois,SimilaritySearch_Max,HIV1PR,Enrichment factor 5%,14.090909090909092, +Dekois,SimilaritySearch_Max,HIV1PR,RIE,10.81936932946555, +Dekois,SimilaritySearch_Max,HIV1PR,AUPRC,0.6131193865937627, +Dekois,LightGBM_Ranker,HIV1PR,AUROC,0.9300699300699301, +Dekois,LightGBM_Ranker,HIV1PR,BEDROC,0.7098732868598476, +Dekois,LightGBM_Ranker,HIV1PR,Enrichment factor 1%,28.181818181818183, +Dekois,LightGBM_Ranker,HIV1PR,Enrichment factor 5%,12.329545454545455, +Dekois,LightGBM_Ranker,HIV1PR,RIE,10.166748878302666, +Dekois,LightGBM_Ranker,HIV1PR,AUPRC,0.6189771499602682, +Dekois,LightGBM_Ranker,HIV1PR,accuracy,0.535483870967742, +Dekois,LightGBM_Ranker,HIV1PR,F1 score,0.13253012048192772, +Dekois,LightGBM_Ranker,HIV1PR,recall,1.0, +Dekois,LightGBM_Ranker,HIV1PR,precision,0.07096774193548387, +Dekois,LightGBM_Ranker,HIV1PR,MCC,0.19180536399919287, Dekois,RandomForest,HIV1RT,AUROC,0.921979865771812, Dekois,RandomForest,HIV1RT,BEDROC,0.6933336956409982, Dekois,RandomForest,HIV1RT,Enrichment factor 1%,25.833333333333332, @@ -4389,12 +7041,29 @@ Dekois,LogisticRegression,HIV1RT,F1 score,0.5, Dekois,LogisticRegression,HIV1RT,recall,0.3333333333333333, Dekois,LogisticRegression,HIV1RT,precision,1.0, Dekois,LogisticRegression,HIV1RT,MCC,0.5697532241097388, -Dekois,SimilaritySearch,HIV1RT,AUROC,0.816834451901566, -Dekois,SimilaritySearch,HIV1RT,BEDROC,0.25579100632589596, -Dekois,SimilaritySearch,HIV1RT,Enrichment factor 1%,0.0, -Dekois,SimilaritySearch,HIV1RT,Enrichment factor 5%,3.2291666666666665, -Dekois,SimilaritySearch,HIV1RT,RIE,3.5611779821497733, -Dekois,SimilaritySearch,HIV1RT,AUPRC,0.1424532808489495, +Dekois,SimilaritySearch_Mean,HIV1RT,AUROC,0.816834451901566, +Dekois,SimilaritySearch_Mean,HIV1RT,BEDROC,0.25579100632589596, +Dekois,SimilaritySearch_Mean,HIV1RT,Enrichment factor 1%,0.0, +Dekois,SimilaritySearch_Mean,HIV1RT,Enrichment factor 5%,3.2291666666666665, +Dekois,SimilaritySearch_Mean,HIV1RT,RIE,3.5611779821497733, +Dekois,SimilaritySearch_Mean,HIV1RT,AUPRC,0.1424532808489495, +Dekois,SimilaritySearch_Max,HIV1RT,AUROC,0.8741610738255033, +Dekois,SimilaritySearch_Max,HIV1RT,BEDROC,0.512777794127553, +Dekois,SimilaritySearch_Max,HIV1RT,Enrichment factor 1%,19.375, +Dekois,SimilaritySearch_Max,HIV1RT,Enrichment factor 5%,8.072916666666666, +Dekois,SimilaritySearch_Max,HIV1RT,RIE,7.1390038313613795, +Dekois,SimilaritySearch_Max,HIV1RT,AUPRC,0.40775529473882344, +Dekois,LightGBM_Ranker,HIV1RT,AUROC,0.901565995525727, +Dekois,LightGBM_Ranker,HIV1RT,BEDROC,0.7870981889955703, +Dekois,LightGBM_Ranker,HIV1RT,Enrichment factor 1%,25.833333333333332, +Dekois,LightGBM_Ranker,HIV1RT,Enrichment factor 5%,12.916666666666666, +Dekois,LightGBM_Ranker,HIV1RT,RIE,10.958151921115428, +Dekois,LightGBM_Ranker,HIV1RT,AUPRC,0.7000972816711813, +Dekois,LightGBM_Ranker,HIV1RT,accuracy,0.532258064516129, +Dekois,LightGBM_Ranker,HIV1RT,F1 score,0.1317365269461078, +Dekois,LightGBM_Ranker,HIV1RT,recall,0.9166666666666666, +Dekois,LightGBM_Ranker,HIV1RT,precision,0.07096774193548387, +Dekois,LightGBM_Ranker,HIV1RT,MCC,0.16722501552266278, Dekois,RandomForest,HSP90,AUROC,0.9332861857614334, Dekois,RandomForest,HSP90,BEDROC,0.6110418278934471, Dekois,RandomForest,HSP90,Enrichment factor 1%,33.214285714285715, @@ -4417,12 +7086,29 @@ Dekois,LogisticRegression,HSP90,F1 score,0.6, Dekois,LogisticRegression,HSP90,recall,0.42857142857142855, Dekois,LogisticRegression,HSP90,precision,1.0, Dekois,LogisticRegression,HSP90,MCC,0.6503748426997711, -Dekois,SimilaritySearch,HSP90,AUROC,0.7006129184347006, -Dekois,SimilaritySearch,HSP90,BEDROC,0.47493732570155817, -Dekois,SimilaritySearch,HSP90,Enrichment factor 1%,33.214285714285715, -Dekois,SimilaritySearch,HSP90,Enrichment factor 5%,8.303571428571429, -Dekois,SimilaritySearch,HSP90,RIE,7.6433584430002375, -Dekois,SimilaritySearch,HSP90,AUPRC,0.4131736152779566, +Dekois,SimilaritySearch_Mean,HSP90,AUROC,0.7006129184347006, +Dekois,SimilaritySearch_Mean,HSP90,BEDROC,0.47493732570155817, +Dekois,SimilaritySearch_Mean,HSP90,Enrichment factor 1%,33.214285714285715, +Dekois,SimilaritySearch_Mean,HSP90,Enrichment factor 5%,8.303571428571429, +Dekois,SimilaritySearch_Mean,HSP90,RIE,7.6433584430002375, +Dekois,SimilaritySearch_Mean,HSP90,AUPRC,0.4131736152779566, +Dekois,SimilaritySearch_Max,HSP90,AUROC,0.8533710513908533, +Dekois,SimilaritySearch_Max,HSP90,BEDROC,0.5927939020430281, +Dekois,SimilaritySearch_Max,HSP90,Enrichment factor 1%,33.214285714285715, +Dekois,SimilaritySearch_Max,HSP90,Enrichment factor 5%,11.071428571428571, +Dekois,SimilaritySearch_Max,HSP90,RIE,9.540071973298021, +Dekois,SimilaritySearch_Max,HSP90,AUPRC,0.4471888194110416, +Dekois,LightGBM_Ranker,HSP90,AUROC,0.9335219236209336, +Dekois,LightGBM_Ranker,HSP90,BEDROC,0.6008876798788483, +Dekois,LightGBM_Ranker,HSP90,Enrichment factor 1%,33.214285714285715, +Dekois,LightGBM_Ranker,HSP90,Enrichment factor 5%,11.071428571428571, +Dekois,LightGBM_Ranker,HSP90,RIE,9.670328412174591, +Dekois,LightGBM_Ranker,HSP90,AUPRC,0.5267707082833133, +Dekois,LightGBM_Ranker,HSP90,accuracy,0.5225806451612903, +Dekois,LightGBM_Ranker,HSP90,F1 score,0.08641975308641975, +Dekois,LightGBM_Ranker,HSP90,recall,1.0, +Dekois,LightGBM_Ranker,HSP90,precision,0.04516129032258064, +Dekois,LightGBM_Ranker,HSP90,MCC,0.15199444144778157, Dekois,RandomForest,IGF1R,AUROC,0.9242930982061417, Dekois,RandomForest,IGF1R,BEDROC,0.7356402304072227, Dekois,RandomForest,IGF1R,Enrichment factor 1%,28.181818181818183, @@ -4445,12 +7131,29 @@ Dekois,LogisticRegression,IGF1R,F1 score,0.5882352941176471, Dekois,LogisticRegression,IGF1R,recall,0.45454545454545453, Dekois,LogisticRegression,IGF1R,precision,0.8333333333333334, Dekois,LogisticRegression,IGF1R,MCC,0.605884088273293, -Dekois,SimilaritySearch,IGF1R,AUROC,0.9148677409546975, -Dekois,SimilaritySearch,IGF1R,BEDROC,0.5452639451968684, -Dekois,SimilaritySearch,IGF1R,Enrichment factor 1%,21.136363636363637, -Dekois,SimilaritySearch,IGF1R,Enrichment factor 5%,8.806818181818182, -Dekois,SimilaritySearch,IGF1R,RIE,7.809226964451251, -Dekois,SimilaritySearch,IGF1R,AUPRC,0.4318545730423844, +Dekois,SimilaritySearch_Mean,IGF1R,AUROC,0.9148677409546975, +Dekois,SimilaritySearch_Mean,IGF1R,BEDROC,0.5452639451968684, +Dekois,SimilaritySearch_Mean,IGF1R,Enrichment factor 1%,21.136363636363637, +Dekois,SimilaritySearch_Mean,IGF1R,Enrichment factor 5%,8.806818181818182, +Dekois,SimilaritySearch_Mean,IGF1R,RIE,7.809226964451251, +Dekois,SimilaritySearch_Mean,IGF1R,AUPRC,0.4318545730423844, +Dekois,SimilaritySearch_Max,IGF1R,AUROC,0.9408634843417452, +Dekois,SimilaritySearch_Max,IGF1R,BEDROC,0.6932489861825629, +Dekois,SimilaritySearch_Max,IGF1R,Enrichment factor 1%,21.136363636363637, +Dekois,SimilaritySearch_Max,IGF1R,Enrichment factor 5%,12.329545454545455, +Dekois,SimilaritySearch_Max,IGF1R,RIE,9.92865696472588, +Dekois,SimilaritySearch_Max,IGF1R,AUPRC,0.5643329704733214, +Dekois,LightGBM_Ranker,IGF1R,AUROC,0.8239586500456066, +Dekois,LightGBM_Ranker,IGF1R,BEDROC,0.6300588051397193, +Dekois,LightGBM_Ranker,IGF1R,Enrichment factor 1%,28.181818181818183, +Dekois,LightGBM_Ranker,IGF1R,Enrichment factor 5%,10.568181818181818, +Dekois,LightGBM_Ranker,IGF1R,RIE,9.023652211995946, +Dekois,LightGBM_Ranker,IGF1R,AUPRC,0.5500279975326106, +Dekois,LightGBM_Ranker,IGF1R,accuracy,0.5225806451612903, +Dekois,LightGBM_Ranker,IGF1R,F1 score,0.10843373493975904, +Dekois,LightGBM_Ranker,IGF1R,recall,0.8181818181818182, +Dekois,LightGBM_Ranker,IGF1R,precision,0.05806451612903226, +Dekois,LightGBM_Ranker,IGF1R,MCC,0.12205795890857729, Dekois,RandomForest,ITK,AUROC,0.8567880794701986, Dekois,RandomForest,ITK,BEDROC,0.716865888793565, Dekois,RandomForest,ITK,Enrichment factor 1%,38.75, @@ -4473,12 +7176,29 @@ Dekois,LogisticRegression,ITK,F1 score,0.5454545454545454, Dekois,LogisticRegression,ITK,recall,0.375, Dekois,LogisticRegression,ITK,precision,1.0, Dekois,LogisticRegression,ITK,MCC,0.6073652180881965, -Dekois,SimilaritySearch,ITK,AUROC,0.896523178807947, -Dekois,SimilaritySearch,ITK,BEDROC,0.5229044226943289, -Dekois,SimilaritySearch,ITK,Enrichment factor 1%,19.375, -Dekois,SimilaritySearch,ITK,Enrichment factor 5%,12.109375, -Dekois,SimilaritySearch,ITK,RIE,8.16932426033543, -Dekois,SimilaritySearch,ITK,AUPRC,0.36296453546453544, +Dekois,SimilaritySearch_Mean,ITK,AUROC,0.896523178807947, +Dekois,SimilaritySearch_Mean,ITK,BEDROC,0.5229044226943289, +Dekois,SimilaritySearch_Mean,ITK,Enrichment factor 1%,19.375, +Dekois,SimilaritySearch_Mean,ITK,Enrichment factor 5%,12.109375, +Dekois,SimilaritySearch_Mean,ITK,RIE,8.16932426033543, +Dekois,SimilaritySearch_Mean,ITK,AUPRC,0.36296453546453544, +Dekois,SimilaritySearch_Max,ITK,AUROC,0.9031456953642384, +Dekois,SimilaritySearch_Max,ITK,BEDROC,0.6232962425290623, +Dekois,SimilaritySearch_Max,ITK,Enrichment factor 1%,38.75, +Dekois,SimilaritySearch_Max,ITK,Enrichment factor 5%,9.6875, +Dekois,SimilaritySearch_Max,ITK,RIE,9.73774343658317, +Dekois,SimilaritySearch_Max,ITK,AUPRC,0.569520914812329, +Dekois,LightGBM_Ranker,ITK,AUROC,0.7893211920529801, +Dekois,LightGBM_Ranker,ITK,BEDROC,0.5841559644267792, +Dekois,LightGBM_Ranker,ITK,Enrichment factor 1%,38.75, +Dekois,LightGBM_Ranker,ITK,Enrichment factor 5%,9.6875, +Dekois,LightGBM_Ranker,ITK,RIE,9.126255739275273, +Dekois,LightGBM_Ranker,ITK,AUPRC,0.5403447874650947, +Dekois,LightGBM_Ranker,ITK,accuracy,0.5193548387096775, +Dekois,LightGBM_Ranker,ITK,F1 score,0.08588957055214724, +Dekois,LightGBM_Ranker,ITK,recall,0.875, +Dekois,LightGBM_Ranker,ITK,precision,0.04516129032258064, +Dekois,LightGBM_Ranker,ITK,MCC,0.12206826881567391, Dekois,RandomForest,JAK3,AUROC,0.9438333333333334, Dekois,RandomForest,JAK3,BEDROC,0.5587258422190656, Dekois,RandomForest,JAK3,Enrichment factor 1%,15.5, @@ -4501,12 +7221,29 @@ Dekois,LogisticRegression,JAK3,F1 score,0.16666666666666666, Dekois,LogisticRegression,JAK3,recall,0.1, Dekois,LogisticRegression,JAK3,precision,0.5, Dekois,LogisticRegression,JAK3,MCC,0.21332758379698114, -Dekois,SimilaritySearch,JAK3,AUROC,0.8463333333333333, -Dekois,SimilaritySearch,JAK3,BEDROC,0.30676768557937095, -Dekois,SimilaritySearch,JAK3,Enrichment factor 1%,15.5, -Dekois,SimilaritySearch,JAK3,Enrichment factor 5%,3.875, -Dekois,SimilaritySearch,JAK3,RIE,4.52116805877744, -Dekois,SimilaritySearch,JAK3,AUPRC,0.28503850893765126, +Dekois,SimilaritySearch_Mean,JAK3,AUROC,0.8463333333333333, +Dekois,SimilaritySearch_Mean,JAK3,BEDROC,0.30676768557937095, +Dekois,SimilaritySearch_Mean,JAK3,Enrichment factor 1%,15.5, +Dekois,SimilaritySearch_Mean,JAK3,Enrichment factor 5%,3.875, +Dekois,SimilaritySearch_Mean,JAK3,RIE,4.52116805877744, +Dekois,SimilaritySearch_Mean,JAK3,AUPRC,0.28503850893765126, +Dekois,SimilaritySearch_Max,JAK3,AUROC,0.8781666666666667, +Dekois,SimilaritySearch_Max,JAK3,BEDROC,0.4369067761107397, +Dekois,SimilaritySearch_Max,JAK3,Enrichment factor 1%,7.75, +Dekois,SimilaritySearch_Max,JAK3,Enrichment factor 5%,7.75, +Dekois,SimilaritySearch_Max,JAK3,RIE,6.439168941632466, +Dekois,SimilaritySearch_Max,JAK3,AUPRC,0.2326401081185113, +Dekois,LightGBM_Ranker,JAK3,AUROC,0.9056666666666668, +Dekois,LightGBM_Ranker,JAK3,BEDROC,0.6003176153716462, +Dekois,LightGBM_Ranker,JAK3,Enrichment factor 1%,15.5, +Dekois,LightGBM_Ranker,JAK3,Enrichment factor 5%,11.625, +Dekois,LightGBM_Ranker,JAK3,RIE,8.847531661018094, +Dekois,LightGBM_Ranker,JAK3,AUPRC,0.3832978851214145, +Dekois,LightGBM_Ranker,JAK3,accuracy,0.532258064516129, +Dekois,LightGBM_Ranker,JAK3,F1 score,0.12121212121212122, +Dekois,LightGBM_Ranker,JAK3,recall,1.0, +Dekois,LightGBM_Ranker,JAK3,precision,0.06451612903225806, +Dekois,LightGBM_Ranker,JAK3,MCC,0.18257418583505536, Dekois,RandomForest,JNK1,AUROC,0.924469111969112, Dekois,RandomForest,JNK1,BEDROC,0.5596935816291955, Dekois,RandomForest,JNK1,Enrichment factor 1%,5.535714285714286, @@ -4529,12 +7266,29 @@ Dekois,LogisticRegression,JNK1,F1 score,0.25, Dekois,LogisticRegression,JNK1,recall,0.21428571428571427, Dekois,LogisticRegression,JNK1,precision,0.3, Dekois,LogisticRegression,JNK1,MCC,0.22405600628212125, -Dekois,SimilaritySearch,JNK1,AUROC,0.7705115830115831, -Dekois,SimilaritySearch,JNK1,BEDROC,0.2914275127999734, -Dekois,SimilaritySearch,JNK1,Enrichment factor 1%,0.0, -Dekois,SimilaritySearch,JNK1,Enrichment factor 5%,4.151785714285714, -Dekois,SimilaritySearch,JNK1,RIE,3.837878083200529, -Dekois,SimilaritySearch,JNK1,AUPRC,0.16277000824900506, +Dekois,SimilaritySearch_Mean,JNK1,AUROC,0.7705115830115831, +Dekois,SimilaritySearch_Mean,JNK1,BEDROC,0.2914275127999734, +Dekois,SimilaritySearch_Mean,JNK1,Enrichment factor 1%,0.0, +Dekois,SimilaritySearch_Mean,JNK1,Enrichment factor 5%,4.151785714285714, +Dekois,SimilaritySearch_Mean,JNK1,RIE,3.837878083200529, +Dekois,SimilaritySearch_Mean,JNK1,AUPRC,0.16277000824900506, +Dekois,SimilaritySearch_Max,JNK1,AUROC,0.8485762548262549, +Dekois,SimilaritySearch_Max,JNK1,BEDROC,0.5988075522560061, +Dekois,SimilaritySearch_Max,JNK1,Enrichment factor 1%,11.071428571428571, +Dekois,SimilaritySearch_Max,JNK1,Enrichment factor 5%,11.071428571428571, +Dekois,SimilaritySearch_Max,JNK1,RIE,7.8858387054475925, +Dekois,SimilaritySearch_Max,JNK1,AUPRC,0.39081830626099257, +Dekois,LightGBM_Ranker,JNK1,AUROC,0.897442084942085, +Dekois,LightGBM_Ranker,JNK1,BEDROC,0.49577779236996394, +Dekois,LightGBM_Ranker,JNK1,Enrichment factor 1%,5.535714285714286, +Dekois,LightGBM_Ranker,JNK1,Enrichment factor 5%,8.303571428571429, +Dekois,LightGBM_Ranker,JNK1,RIE,6.529015368199226, +Dekois,LightGBM_Ranker,JNK1,AUPRC,0.32972226702463864, +Dekois,LightGBM_Ranker,JNK1,accuracy,0.5387096774193548, +Dekois,LightGBM_Ranker,JNK1,F1 score,0.15384615384615385, +Dekois,LightGBM_Ranker,JNK1,recall,0.9285714285714286, +Dekois,LightGBM_Ranker,JNK1,precision,0.08387096774193549, +Dekois,LightGBM_Ranker,JNK1,MCC,0.18641092980036, Dekois,RandomForest,JNK2,AUROC,0.8778146917681802, Dekois,RandomForest,JNK2,BEDROC,0.36835494365388727, Dekois,RandomForest,JNK2,Enrichment factor 1%,17.22222222222222, @@ -4557,12 +7311,29 @@ Dekois,LogisticRegression,JNK2,F1 score,0.23529411764705882, Dekois,LogisticRegression,JNK2,recall,0.2222222222222222, Dekois,LogisticRegression,JNK2,precision,0.25, Dekois,LogisticRegression,JNK2,MCC,0.214204007151124, -Dekois,SimilaritySearch,JNK2,AUROC,0.808047249907715, -Dekois,SimilaritySearch,JNK2,BEDROC,0.42097897544620255, -Dekois,SimilaritySearch,JNK2,Enrichment factor 1%,17.22222222222222, -Dekois,SimilaritySearch,JNK2,Enrichment factor 5%,6.458333333333333, -Dekois,SimilaritySearch,JNK2,RIE,6.386880229147721, -Dekois,SimilaritySearch,JNK2,AUPRC,0.29813561246661396, +Dekois,SimilaritySearch_Mean,JNK2,AUROC,0.808047249907715, +Dekois,SimilaritySearch_Mean,JNK2,BEDROC,0.42097897544620255, +Dekois,SimilaritySearch_Mean,JNK2,Enrichment factor 1%,17.22222222222222, +Dekois,SimilaritySearch_Mean,JNK2,Enrichment factor 5%,6.458333333333333, +Dekois,SimilaritySearch_Mean,JNK2,RIE,6.386880229147721, +Dekois,SimilaritySearch_Mean,JNK2,AUPRC,0.29813561246661396, +Dekois,SimilaritySearch_Max,JNK2,AUROC,0.877999261720192, +Dekois,SimilaritySearch_Max,JNK2,BEDROC,0.44242650572965425, +Dekois,SimilaritySearch_Max,JNK2,Enrichment factor 1%,17.22222222222222, +Dekois,SimilaritySearch_Max,JNK2,Enrichment factor 5%,6.458333333333333, +Dekois,SimilaritySearch_Max,JNK2,RIE,6.7122713149795, +Dekois,SimilaritySearch_Max,JNK2,AUPRC,0.27190155911086145, +Dekois,LightGBM_Ranker,JNK2,AUROC,0.887781469176818, +Dekois,LightGBM_Ranker,JNK2,BEDROC,0.510722454001286, +Dekois,LightGBM_Ranker,JNK2,Enrichment factor 1%,17.22222222222222, +Dekois,LightGBM_Ranker,JNK2,Enrichment factor 5%,8.61111111111111, +Dekois,LightGBM_Ranker,JNK2,RIE,7.748422912497643, +Dekois,LightGBM_Ranker,JNK2,AUPRC,0.3923901208183908, +Dekois,LightGBM_Ranker,JNK2,accuracy,0.5225806451612903, +Dekois,LightGBM_Ranker,JNK2,F1 score,0.0975609756097561, +Dekois,LightGBM_Ranker,JNK2,recall,0.8888888888888888, +Dekois,LightGBM_Ranker,JNK2,precision,0.05161290322580645, +Dekois,LightGBM_Ranker,JNK2,MCC,0.13449109746432147, Dekois,RandomForest,JNK3,AUROC,0.9060402684563758, Dekois,RandomForest,JNK3,BEDROC,0.4914965854841406, Dekois,RandomForest,JNK3,Enrichment factor 1%,12.916666666666666, @@ -4585,12 +7356,29 @@ Dekois,LogisticRegression,JNK3,F1 score,0.19047619047619047, Dekois,LogisticRegression,JNK3,recall,0.16666666666666666, Dekois,LogisticRegression,JNK3,precision,0.2222222222222222, Dekois,LogisticRegression,JNK3,MCC,0.16450030344141617, -Dekois,SimilaritySearch,JNK3,AUROC,0.8408836689038032, -Dekois,SimilaritySearch,JNK3,BEDROC,0.38227802778045794, -Dekois,SimilaritySearch,JNK3,Enrichment factor 1%,6.458333333333333, -Dekois,SimilaritySearch,JNK3,Enrichment factor 5%,8.072916666666666, -Dekois,SimilaritySearch,JNK3,RIE,5.322157753993892, -Dekois,SimilaritySearch,JNK3,AUPRC,0.20567878653745816, +Dekois,SimilaritySearch_Mean,JNK3,AUROC,0.8408836689038032, +Dekois,SimilaritySearch_Mean,JNK3,BEDROC,0.38227802778045794, +Dekois,SimilaritySearch_Mean,JNK3,Enrichment factor 1%,6.458333333333333, +Dekois,SimilaritySearch_Mean,JNK3,Enrichment factor 5%,8.072916666666666, +Dekois,SimilaritySearch_Mean,JNK3,RIE,5.322157753993892, +Dekois,SimilaritySearch_Mean,JNK3,AUPRC,0.20567878653745816, +Dekois,SimilaritySearch_Max,JNK3,AUROC,0.8678691275167785, +Dekois,SimilaritySearch_Max,JNK3,BEDROC,0.4596639031860244, +Dekois,SimilaritySearch_Max,JNK3,Enrichment factor 1%,6.458333333333333, +Dekois,SimilaritySearch_Max,JNK3,Enrichment factor 5%,8.072916666666666, +Dekois,SimilaritySearch_Max,JNK3,RIE,6.39954071114263, +Dekois,SimilaritySearch_Max,JNK3,AUPRC,0.2637074432341948, +Dekois,LightGBM_Ranker,JNK3,AUROC,0.9144295302013423, +Dekois,LightGBM_Ranker,JNK3,BEDROC,0.49103892643714436, +Dekois,LightGBM_Ranker,JNK3,Enrichment factor 1%,6.458333333333333, +Dekois,LightGBM_Ranker,JNK3,Enrichment factor 5%,9.6875, +Dekois,LightGBM_Ranker,JNK3,RIE,6.836350596069906, +Dekois,LightGBM_Ranker,JNK3,AUPRC,0.3055530782542277, +Dekois,LightGBM_Ranker,JNK3,accuracy,0.5387096774193548, +Dekois,LightGBM_Ranker,JNK3,F1 score,0.1437125748502994, +Dekois,LightGBM_Ranker,JNK3,recall,1.0, +Dekois,LightGBM_Ranker,JNK3,precision,0.07741935483870968, +Dekois,LightGBM_Ranker,JNK3,MCC,0.20067001862719533, Dekois,RandomForest,KIF11,AUROC,0.9927868852459016, Dekois,RandomForest,KIF11,BEDROC,0.9002475568774537, Dekois,RandomForest,KIF11,Enrichment factor 1%,46.5, @@ -4613,12 +7401,29 @@ Dekois,LogisticRegression,KIF11,F1 score,0.75, Dekois,LogisticRegression,KIF11,recall,0.6, Dekois,LogisticRegression,KIF11,precision,1.0, Dekois,LogisticRegression,KIF11,MCC,0.7720694303051548, -Dekois,SimilaritySearch,KIF11,AUROC,0.9606557377049181, -Dekois,SimilaritySearch,KIF11,BEDROC,0.7110443570630206, -Dekois,SimilaritySearch,KIF11,Enrichment factor 1%,46.5, -Dekois,SimilaritySearch,KIF11,Enrichment factor 5%,11.625, -Dekois,SimilaritySearch,KIF11,RIE,12.155156678451789, -Dekois,SimilaritySearch,KIF11,AUPRC,0.6144444444444445, +Dekois,SimilaritySearch_Mean,KIF11,AUROC,0.9606557377049181, +Dekois,SimilaritySearch_Mean,KIF11,BEDROC,0.7110443570630206, +Dekois,SimilaritySearch_Mean,KIF11,Enrichment factor 1%,46.5, +Dekois,SimilaritySearch_Mean,KIF11,Enrichment factor 5%,11.625, +Dekois,SimilaritySearch_Mean,KIF11,RIE,12.155156678451789, +Dekois,SimilaritySearch_Mean,KIF11,AUPRC,0.6144444444444445, +Dekois,SimilaritySearch_Max,KIF11,AUROC,0.9901639344262295, +Dekois,SimilaritySearch_Max,KIF11,BEDROC,0.8727978900061113, +Dekois,SimilaritySearch_Max,KIF11,Enrichment factor 1%,46.5, +Dekois,SimilaritySearch_Max,KIF11,Enrichment factor 5%,15.5, +Dekois,SimilaritySearch_Max,KIF11,RIE,14.92029996215421, +Dekois,SimilaritySearch_Max,KIF11,AUPRC,0.7731092436974789, +Dekois,LightGBM_Ranker,KIF11,AUROC,0.9954098360655739, +Dekois,LightGBM_Ranker,KIF11,BEDROC,0.9251339309174138, +Dekois,LightGBM_Ranker,KIF11,Enrichment factor 1%,46.5, +Dekois,LightGBM_Ranker,KIF11,Enrichment factor 5%,19.375, +Dekois,LightGBM_Ranker,KIF11,RIE,15.81497378712951, +Dekois,LightGBM_Ranker,KIF11,AUPRC,0.7944444444444445, +Dekois,LightGBM_Ranker,KIF11,accuracy,0.5161290322580645, +Dekois,LightGBM_Ranker,KIF11,F1 score,0.0625, +Dekois,LightGBM_Ranker,KIF11,recall,1.0, +Dekois,LightGBM_Ranker,KIF11,precision,0.03225806451612903, +Dekois,LightGBM_Ranker,KIF11,MCC,0.12803687993289598, Dekois,RandomForest,LCK,AUROC,0.8789221114802509, Dekois,RandomForest,LCK,BEDROC,0.7557959009065217, Dekois,RandomForest,LCK,Enrichment factor 1%,25.833333333333332, @@ -4641,12 +7446,29 @@ Dekois,LogisticRegression,LCK,F1 score,0.5, Dekois,LogisticRegression,LCK,recall,0.4444444444444444, Dekois,LogisticRegression,LCK,precision,0.5714285714285714, Dekois,LogisticRegression,LCK,MCC,0.49102276334804684, -Dekois,SimilaritySearch,LCK,AUROC,0.8619416758951642, -Dekois,SimilaritySearch,LCK,BEDROC,0.6544107157673092, -Dekois,SimilaritySearch,LCK,Enrichment factor 1%,25.833333333333332, -Dekois,SimilaritySearch,LCK,Enrichment factor 5%,10.76388888888889, -Dekois,SimilaritySearch,LCK,RIE,9.928388572851642, -Dekois,SimilaritySearch,LCK,AUPRC,0.549762995360383, +Dekois,SimilaritySearch_Mean,LCK,AUROC,0.8619416758951642, +Dekois,SimilaritySearch_Mean,LCK,BEDROC,0.6544107157673092, +Dekois,SimilaritySearch_Mean,LCK,Enrichment factor 1%,25.833333333333332, +Dekois,SimilaritySearch_Mean,LCK,Enrichment factor 5%,10.76388888888889, +Dekois,SimilaritySearch_Mean,LCK,RIE,9.928388572851642, +Dekois,SimilaritySearch_Mean,LCK,AUPRC,0.549762995360383, +Dekois,SimilaritySearch_Max,LCK,AUROC,0.8543743078626799, +Dekois,SimilaritySearch_Max,LCK,BEDROC,0.5777394486123305, +Dekois,SimilaritySearch_Max,LCK,Enrichment factor 1%,17.22222222222222, +Dekois,SimilaritySearch_Max,LCK,Enrichment factor 5%,12.916666666666666, +Dekois,SimilaritySearch_Max,LCK,RIE,8.765170871701864, +Dekois,SimilaritySearch_Max,LCK,AUPRC,0.3529650020169524, +Dekois,LightGBM_Ranker,LCK,AUROC,0.9538575119970469, +Dekois,LightGBM_Ranker,LCK,BEDROC,0.6743595047628138, +Dekois,LightGBM_Ranker,LCK,Enrichment factor 1%,25.833333333333332, +Dekois,LightGBM_Ranker,LCK,Enrichment factor 5%,10.76388888888889, +Dekois,LightGBM_Ranker,LCK,RIE,10.231041513609332, +Dekois,LightGBM_Ranker,LCK,AUPRC,0.5844259589357629, +Dekois,LightGBM_Ranker,LCK,accuracy,0.5290322580645161, +Dekois,LightGBM_Ranker,LCK,F1 score,0.10975609756097561, +Dekois,LightGBM_Ranker,LCK,recall,1.0, +Dekois,LightGBM_Ranker,LCK,precision,0.05806451612903226, +Dekois,LightGBM_Ranker,LCK,MCC,0.1729171253112705, Dekois,RandomForest,MK2,AUROC,0.9701986754966887, Dekois,RandomForest,MK2,BEDROC,0.7766149186097479, Dekois,RandomForest,MK2,Enrichment factor 1%,29.0625, @@ -4669,12 +7491,29 @@ Dekois,LogisticRegression,MK2,F1 score,0.46153846153846156, Dekois,LogisticRegression,MK2,recall,0.375, Dekois,LogisticRegression,MK2,precision,0.6, Dekois,LogisticRegression,MK2,MCC,0.46366746157974437, -Dekois,SimilaritySearch,MK2,AUROC,0.8704470198675498, -Dekois,SimilaritySearch,MK2,BEDROC,0.4142021718835946, -Dekois,SimilaritySearch,MK2,Enrichment factor 1%,9.6875, -Dekois,SimilaritySearch,MK2,Enrichment factor 5%,7.265625, -Dekois,SimilaritySearch,MK2,RIE,6.4710714051375495, -Dekois,SimilaritySearch,MK2,AUPRC,0.27299407448343616, +Dekois,SimilaritySearch_Mean,MK2,AUROC,0.8704470198675498, +Dekois,SimilaritySearch_Mean,MK2,BEDROC,0.4142021718835946, +Dekois,SimilaritySearch_Mean,MK2,Enrichment factor 1%,9.6875, +Dekois,SimilaritySearch_Mean,MK2,Enrichment factor 5%,7.265625, +Dekois,SimilaritySearch_Mean,MK2,RIE,6.4710714051375495, +Dekois,SimilaritySearch_Mean,MK2,AUPRC,0.27299407448343616, +Dekois,SimilaritySearch_Max,MK2,AUROC,0.9089403973509933, +Dekois,SimilaritySearch_Max,MK2,BEDROC,0.741727576845287, +Dekois,SimilaritySearch_Max,MK2,Enrichment factor 1%,29.0625, +Dekois,SimilaritySearch_Max,MK2,Enrichment factor 5%,14.53125, +Dekois,SimilaritySearch_Max,MK2,RIE,11.58799354775715, +Dekois,SimilaritySearch_Max,MK2,AUPRC,0.6024832301341589, +Dekois,LightGBM_Ranker,MK2,AUROC,0.925496688741722, +Dekois,LightGBM_Ranker,MK2,BEDROC,0.7092677158034125, +Dekois,LightGBM_Ranker,MK2,Enrichment factor 1%,29.0625, +Dekois,LightGBM_Ranker,MK2,Enrichment factor 5%,12.109375, +Dekois,LightGBM_Ranker,MK2,RIE,11.080873858122848, +Dekois,LightGBM_Ranker,MK2,AUPRC,0.6041711071122836, +Dekois,LightGBM_Ranker,MK2,accuracy,0.5258064516129032, +Dekois,LightGBM_Ranker,MK2,F1 score,0.09815950920245399, +Dekois,LightGBM_Ranker,MK2,recall,1.0, +Dekois,LightGBM_Ranker,MK2,precision,0.05161290322580645, +Dekois,LightGBM_Ranker,MK2,MCC,0.16275769175423188, Dekois,RandomForest,MMP2,AUROC,0.9195804195804196, Dekois,RandomForest,MMP2,BEDROC,0.7200368219022556, Dekois,RandomForest,MMP2,Enrichment factor 1%,28.181818181818183, @@ -4697,12 +7536,29 @@ Dekois,LogisticRegression,MMP2,F1 score,0.625, Dekois,LogisticRegression,MMP2,recall,0.45454545454545453, Dekois,LogisticRegression,MMP2,precision,1.0, Dekois,LogisticRegression,MMP2,MCC,0.6675354498085609, -Dekois,SimilaritySearch,MMP2,AUROC,0.696868349042262, -Dekois,SimilaritySearch,MMP2,BEDROC,0.4809365795752941, -Dekois,SimilaritySearch,MMP2,Enrichment factor 1%,14.090909090909092, -Dekois,SimilaritySearch,MMP2,Enrichment factor 5%,8.806818181818182, -Dekois,SimilaritySearch,MMP2,RIE,6.887935544528755, -Dekois,SimilaritySearch,MMP2,AUPRC,0.32040495423456933, +Dekois,SimilaritySearch_Mean,MMP2,AUROC,0.696868349042262, +Dekois,SimilaritySearch_Mean,MMP2,BEDROC,0.4809365795752941, +Dekois,SimilaritySearch_Mean,MMP2,Enrichment factor 1%,14.090909090909092, +Dekois,SimilaritySearch_Mean,MMP2,Enrichment factor 5%,8.806818181818182, +Dekois,SimilaritySearch_Mean,MMP2,RIE,6.887935544528755, +Dekois,SimilaritySearch_Mean,MMP2,AUPRC,0.32040495423456933, +Dekois,SimilaritySearch_Max,MMP2,AUROC,0.713134691395561, +Dekois,SimilaritySearch_Max,MMP2,BEDROC,0.5198396104233299, +Dekois,SimilaritySearch_Max,MMP2,Enrichment factor 1%,21.136363636363637, +Dekois,SimilaritySearch_Max,MMP2,Enrichment factor 5%,8.806818181818182, +Dekois,SimilaritySearch_Max,MMP2,RIE,7.445101661669656, +Dekois,SimilaritySearch_Max,MMP2,AUPRC,0.3843875273620793, +Dekois,LightGBM_Ranker,MMP2,AUROC,0.9619945272119186, +Dekois,LightGBM_Ranker,MMP2,BEDROC,0.7341076930953689, +Dekois,LightGBM_Ranker,MMP2,Enrichment factor 1%,21.136363636363637, +Dekois,LightGBM_Ranker,MMP2,Enrichment factor 5%,14.090909090909092, +Dekois,LightGBM_Ranker,MMP2,RIE,10.513832119097062, +Dekois,LightGBM_Ranker,MMP2,AUPRC,0.6106399510654831, +Dekois,LightGBM_Ranker,MMP2,accuracy,0.535483870967742, +Dekois,LightGBM_Ranker,MMP2,F1 score,0.13253012048192772, +Dekois,LightGBM_Ranker,MMP2,recall,1.0, +Dekois,LightGBM_Ranker,MMP2,precision,0.07096774193548387, +Dekois,LightGBM_Ranker,MMP2,MCC,0.19180536399919287, Dekois,RandomForest,PARP-1,AUROC,0.9497549019607843, Dekois,RandomForest,PARP-1,BEDROC,0.5238650122858903, Dekois,RandomForest,PARP-1,Enrichment factor 1%,19.375, @@ -4725,12 +7581,29 @@ Dekois,LogisticRegression,PARP-1,F1 score,0.0, Dekois,LogisticRegression,PARP-1,recall,0.0, Dekois,LogisticRegression,PARP-1,precision,0.0, Dekois,LogisticRegression,PARP-1,MCC,-0.011302141026090923, -Dekois,SimilaritySearch,PARP-1,AUROC,0.9133986928104576, -Dekois,SimilaritySearch,PARP-1,BEDROC,0.24661632302036446, -Dekois,SimilaritySearch,PARP-1,Enrichment factor 1%,0.0, -Dekois,SimilaritySearch,PARP-1,Enrichment factor 5%,0.0, -Dekois,SimilaritySearch,PARP-1,RIE,4.347286583007984, -Dekois,SimilaritySearch,PARP-1,AUPRC,0.08997113997113997, +Dekois,SimilaritySearch_Mean,PARP-1,AUROC,0.9133986928104576, +Dekois,SimilaritySearch_Mean,PARP-1,BEDROC,0.24661632302036446, +Dekois,SimilaritySearch_Mean,PARP-1,Enrichment factor 1%,0.0, +Dekois,SimilaritySearch_Mean,PARP-1,Enrichment factor 5%,0.0, +Dekois,SimilaritySearch_Mean,PARP-1,RIE,4.347286583007984, +Dekois,SimilaritySearch_Mean,PARP-1,AUPRC,0.08997113997113997, +Dekois,SimilaritySearch_Max,PARP-1,AUROC,0.9044117647058824, +Dekois,SimilaritySearch_Max,PARP-1,BEDROC,0.24451096733080677, +Dekois,SimilaritySearch_Max,PARP-1,Enrichment factor 1%,0.0, +Dekois,SimilaritySearch_Max,PARP-1,Enrichment factor 5%,4.84375, +Dekois,SimilaritySearch_Max,PARP-1,RIE,4.310173936405507, +Dekois,SimilaritySearch_Max,PARP-1,AUPRC,0.08298076923076923, +Dekois,LightGBM_Ranker,PARP-1,AUROC,0.9681372549019608, +Dekois,LightGBM_Ranker,PARP-1,BEDROC,0.6100663106821159, +Dekois,LightGBM_Ranker,PARP-1,Enrichment factor 1%,19.375, +Dekois,LightGBM_Ranker,PARP-1,Enrichment factor 5%,14.53125, +Dekois,LightGBM_Ranker,PARP-1,RIE,10.754085689053033, +Dekois,LightGBM_Ranker,PARP-1,AUPRC,0.28164335664335666, +Dekois,LightGBM_Ranker,PARP-1,accuracy,0.5129032258064516, +Dekois,LightGBM_Ranker,PARP-1,F1 score,0.050314465408805034, +Dekois,LightGBM_Ranker,PARP-1,recall,1.0, +Dekois,LightGBM_Ranker,PARP-1,precision,0.025806451612903226, +Dekois,LightGBM_Ranker,PARP-1,MCC,0.1143323900950059, Dekois,RandomForest,PDE5,AUROC,0.9471639471639471, Dekois,RandomForest,PDE5,BEDROC,0.8697712718093431, Dekois,RandomForest,PDE5,Enrichment factor 1%,23.846153846153847, @@ -4753,12 +7626,29 @@ Dekois,LogisticRegression,PDE5,F1 score,0.782608695652174, Dekois,LogisticRegression,PDE5,recall,0.6923076923076923, Dekois,LogisticRegression,PDE5,precision,0.9, Dekois,LogisticRegression,PDE5,MCC,0.7815758083475188, -Dekois,SimilaritySearch,PDE5,AUROC,0.9606319606319607, -Dekois,SimilaritySearch,PDE5,BEDROC,0.7760929116525542, -Dekois,SimilaritySearch,PDE5,Enrichment factor 1%,23.846153846153847, -Dekois,SimilaritySearch,PDE5,Enrichment factor 5%,13.413461538461538, -Dekois,SimilaritySearch,PDE5,RIE,10.506921514068058, -Dekois,SimilaritySearch,PDE5,AUPRC,0.7046358959215031, +Dekois,SimilaritySearch_Mean,PDE5,AUROC,0.9606319606319607, +Dekois,SimilaritySearch_Mean,PDE5,BEDROC,0.7760929116525542, +Dekois,SimilaritySearch_Mean,PDE5,Enrichment factor 1%,23.846153846153847, +Dekois,SimilaritySearch_Mean,PDE5,Enrichment factor 5%,13.413461538461538, +Dekois,SimilaritySearch_Mean,PDE5,RIE,10.506921514068058, +Dekois,SimilaritySearch_Mean,PDE5,AUPRC,0.7046358959215031, +Dekois,SimilaritySearch_Max,PDE5,AUROC,0.9886039886039886, +Dekois,SimilaritySearch_Max,PDE5,BEDROC,0.9027016945256399, +Dekois,SimilaritySearch_Max,PDE5,Enrichment factor 1%,23.846153846153847, +Dekois,SimilaritySearch_Max,PDE5,Enrichment factor 5%,16.39423076923077, +Dekois,SimilaritySearch_Max,PDE5,RIE,12.220979865192014, +Dekois,SimilaritySearch_Max,PDE5,AUPRC,0.8630102803179724, +Dekois,LightGBM_Ranker,PDE5,AUROC,0.9544159544159543, +Dekois,LightGBM_Ranker,PDE5,BEDROC,0.8548487754659383, +Dekois,LightGBM_Ranker,PDE5,Enrichment factor 1%,17.884615384615383, +Dekois,LightGBM_Ranker,PDE5,Enrichment factor 5%,16.39423076923077, +Dekois,LightGBM_Ranker,PDE5,RIE,11.573136218972296, +Dekois,LightGBM_Ranker,PDE5,AUPRC,0.7712369698322644, +Dekois,LightGBM_Ranker,PDE5,accuracy,0.5419354838709678, +Dekois,LightGBM_Ranker,PDE5,F1 score,0.15476190476190477, +Dekois,LightGBM_Ranker,PDE5,recall,1.0, +Dekois,LightGBM_Ranker,PDE5,precision,0.08387096774193549, +Dekois,LightGBM_Ranker,PDE5,MCC,0.2092153048202826, Dekois,RandomForest,PDK1,AUROC,0.9252710985384253, Dekois,RandomForest,PDK1,BEDROC,0.6965152394495687, Dekois,RandomForest,PDK1,Enrichment factor 1%,44.285714285714285, @@ -4781,12 +7671,29 @@ Dekois,LogisticRegression,PDK1,F1 score,0.5454545454545454, Dekois,LogisticRegression,PDK1,recall,0.42857142857142855, Dekois,LogisticRegression,PDK1,precision,0.75, Dekois,LogisticRegression,PDK1,MCC,0.5598162417941438, -Dekois,SimilaritySearch,PDK1,AUROC,0.9335219236209336, -Dekois,SimilaritySearch,PDK1,BEDROC,0.6292177539251715, -Dekois,SimilaritySearch,PDK1,Enrichment factor 1%,33.214285714285715, -Dekois,SimilaritySearch,PDK1,Enrichment factor 5%,11.071428571428571, -Dekois,SimilaritySearch,PDK1,RIE,10.126255747127152, -Dekois,SimilaritySearch,PDK1,AUPRC,0.5493297552121081, +Dekois,SimilaritySearch_Mean,PDK1,AUROC,0.9335219236209336, +Dekois,SimilaritySearch_Mean,PDK1,BEDROC,0.6292177539251715, +Dekois,SimilaritySearch_Mean,PDK1,Enrichment factor 1%,33.214285714285715, +Dekois,SimilaritySearch_Mean,PDK1,Enrichment factor 5%,11.071428571428571, +Dekois,SimilaritySearch_Mean,PDK1,RIE,10.126255747127152, +Dekois,SimilaritySearch_Mean,PDK1,AUPRC,0.5493297552121081, +Dekois,SimilaritySearch_Max,PDK1,AUROC,0.938000942951438, +Dekois,SimilaritySearch_Max,PDK1,BEDROC,0.6778393536350908, +Dekois,SimilaritySearch_Max,PDK1,Enrichment factor 1%,33.214285714285715, +Dekois,SimilaritySearch_Max,PDK1,Enrichment factor 5%,11.071428571428571, +Dekois,SimilaritySearch_Max,PDK1,RIE,10.908742808072576, +Dekois,SimilaritySearch_Max,PDK1,AUPRC,0.6086663336663337, +Dekois,LightGBM_Ranker,PDK1,AUROC,0.9561527581329562, +Dekois,LightGBM_Ranker,PDK1,BEDROC,0.7332562513593298, +Dekois,LightGBM_Ranker,PDK1,Enrichment factor 1%,33.214285714285715, +Dekois,LightGBM_Ranker,PDK1,Enrichment factor 5%,13.839285714285714, +Dekois,LightGBM_Ranker,PDK1,RIE,11.800589347175782, +Dekois,LightGBM_Ranker,PDK1,AUPRC,0.6214011920557696, +Dekois,LightGBM_Ranker,PDK1,accuracy,0.5225806451612903, +Dekois,LightGBM_Ranker,PDK1,F1 score,0.08641975308641975, +Dekois,LightGBM_Ranker,PDK1,recall,1.0, +Dekois,LightGBM_Ranker,PDK1,precision,0.04516129032258064, +Dekois,LightGBM_Ranker,PDK1,MCC,0.15199444144778157, Dekois,RandomForest,PI3Kg,AUROC,0.8213079150579151, Dekois,RandomForest,PI3Kg,BEDROC,0.462677714918857, Dekois,RandomForest,PI3Kg,Enrichment factor 1%,16.607142857142858, @@ -4809,12 +7716,29 @@ Dekois,LogisticRegression,PI3Kg,F1 score,0.3, Dekois,LogisticRegression,PI3Kg,recall,0.21428571428571427, Dekois,LogisticRegression,PI3Kg,precision,0.5, Dekois,LogisticRegression,PI3Kg,MCC,0.3077145788555292, -Dekois,SimilaritySearch,PI3Kg,AUROC,0.7138030888030888, -Dekois,SimilaritySearch,PI3Kg,BEDROC,0.43118429113050244, -Dekois,SimilaritySearch,PI3Kg,Enrichment factor 1%,11.071428571428571, -Dekois,SimilaritySearch,PI3Kg,Enrichment factor 5%,6.919642857142857, -Dekois,SimilaritySearch,PI3Kg,RIE,5.678368234660135, -Dekois,SimilaritySearch,PI3Kg,AUPRC,0.3050918052623271, +Dekois,SimilaritySearch_Mean,PI3Kg,AUROC,0.7138030888030888, +Dekois,SimilaritySearch_Mean,PI3Kg,BEDROC,0.43118429113050244, +Dekois,SimilaritySearch_Mean,PI3Kg,Enrichment factor 1%,11.071428571428571, +Dekois,SimilaritySearch_Mean,PI3Kg,Enrichment factor 5%,6.919642857142857, +Dekois,SimilaritySearch_Mean,PI3Kg,RIE,5.678368234660135, +Dekois,SimilaritySearch_Mean,PI3Kg,AUPRC,0.3050918052623271, +Dekois,SimilaritySearch_Max,PI3Kg,AUROC,0.7694256756756757, +Dekois,SimilaritySearch_Max,PI3Kg,BEDROC,0.5449325365692439, +Dekois,SimilaritySearch_Max,PI3Kg,Enrichment factor 1%,22.142857142857142, +Dekois,SimilaritySearch_Max,PI3Kg,Enrichment factor 5%,9.6875, +Dekois,SimilaritySearch_Max,PI3Kg,RIE,7.176345849604067, +Dekois,SimilaritySearch_Max,PI3Kg,AUPRC,0.440042235586916, +Dekois,LightGBM_Ranker,PI3Kg,AUROC,0.7968146718146718, +Dekois,LightGBM_Ranker,PI3Kg,BEDROC,0.41166345439747115, +Dekois,LightGBM_Ranker,PI3Kg,Enrichment factor 1%,16.607142857142858, +Dekois,LightGBM_Ranker,PI3Kg,Enrichment factor 5%,5.535714285714286, +Dekois,LightGBM_Ranker,PI3Kg,RIE,5.421293707151892, +Dekois,LightGBM_Ranker,PI3Kg,AUPRC,0.325911138867368, +Dekois,LightGBM_Ranker,PI3Kg,accuracy,0.5387096774193548, +Dekois,LightGBM_Ranker,PI3Kg,F1 score,0.15384615384615385, +Dekois,LightGBM_Ranker,PI3Kg,recall,0.9285714285714286, +Dekois,LightGBM_Ranker,PI3Kg,precision,0.08387096774193549, +Dekois,LightGBM_Ranker,PI3Kg,MCC,0.18641092980036, Dekois,RandomForest,PIM-1,AUROC,0.9036544850498338, Dekois,RandomForest,PIM-1,BEDROC,0.7002139906109627, Dekois,RandomForest,PIM-1,Enrichment factor 1%,25.833333333333332, @@ -4837,12 +7761,29 @@ Dekois,LogisticRegression,PIM-1,F1 score,0.6666666666666666, Dekois,LogisticRegression,PIM-1,recall,0.6666666666666666, Dekois,LogisticRegression,PIM-1,precision,0.6666666666666666, Dekois,LogisticRegression,PIM-1,MCC,0.6566998892580288, -Dekois,SimilaritySearch,PIM-1,AUROC,0.803248431155408, -Dekois,SimilaritySearch,PIM-1,BEDROC,0.4208217403195929, -Dekois,SimilaritySearch,PIM-1,Enrichment factor 1%,8.61111111111111, -Dekois,SimilaritySearch,PIM-1,Enrichment factor 5%,8.61111111111111, -Dekois,SimilaritySearch,PIM-1,RIE,6.384494737303101, -Dekois,SimilaritySearch,PIM-1,AUPRC,0.2188697064926573, +Dekois,SimilaritySearch_Mean,PIM-1,AUROC,0.803248431155408, +Dekois,SimilaritySearch_Mean,PIM-1,BEDROC,0.4208217403195929, +Dekois,SimilaritySearch_Mean,PIM-1,Enrichment factor 1%,8.61111111111111, +Dekois,SimilaritySearch_Mean,PIM-1,Enrichment factor 5%,8.61111111111111, +Dekois,SimilaritySearch_Mean,PIM-1,RIE,6.384494737303101, +Dekois,SimilaritySearch_Mean,PIM-1,AUPRC,0.2188697064926573, +Dekois,SimilaritySearch_Max,PIM-1,AUROC,0.8724621631598376, +Dekois,SimilaritySearch_Max,PIM-1,BEDROC,0.5106504934296762, +Dekois,SimilaritySearch_Max,PIM-1,Enrichment factor 1%,8.61111111111111, +Dekois,SimilaritySearch_Max,PIM-1,Enrichment factor 5%,10.76388888888889, +Dekois,SimilaritySearch_Max,PIM-1,RIE,7.7473311630876305, +Dekois,SimilaritySearch_Max,PIM-1,AUPRC,0.2926030077981289, +Dekois,LightGBM_Ranker,PIM-1,AUROC,0.8888888888888888, +Dekois,LightGBM_Ranker,PIM-1,BEDROC,0.6980080012528461, +Dekois,LightGBM_Ranker,PIM-1,Enrichment factor 1%,25.833333333333332, +Dekois,LightGBM_Ranker,PIM-1,Enrichment factor 5%,12.916666666666666, +Dekois,LightGBM_Ranker,PIM-1,RIE,10.58982454594373, +Dekois,LightGBM_Ranker,PIM-1,AUPRC,0.5982091636981405, +Dekois,LightGBM_Ranker,PIM-1,accuracy,0.5290322580645161, +Dekois,LightGBM_Ranker,PIM-1,F1 score,0.10975609756097561, +Dekois,LightGBM_Ranker,PIM-1,recall,1.0, +Dekois,LightGBM_Ranker,PIM-1,precision,0.05806451612903226, +Dekois,LightGBM_Ranker,PIM-1,MCC,0.1729171253112705, Dekois,RandomForest,PIM-2,AUROC,0.9989142236699241, Dekois,RandomForest,PIM-2,BEDROC,0.9805019348590323, Dekois,RandomForest,PIM-2,Enrichment factor 1%,77.5, @@ -4865,12 +7806,29 @@ Dekois,LogisticRegression,PIM-2,F1 score,0.6, Dekois,LogisticRegression,PIM-2,recall,1.0, Dekois,LogisticRegression,PIM-2,precision,0.42857142857142855, Dekois,LogisticRegression,PIM-2,MCC,0.6503748426997711, -Dekois,SimilaritySearch,PIM-2,AUROC,0.9771986970684039, -Dekois,SimilaritySearch,PIM-2,BEDROC,0.707307275566044, -Dekois,SimilaritySearch,PIM-2,Enrichment factor 1%,25.833333333333332, -Dekois,SimilaritySearch,PIM-2,Enrichment factor 5%,12.916666666666666, -Dekois,SimilaritySearch,PIM-2,RIE,12.861371756842717, -Dekois,SimilaritySearch,PIM-2,AUPRC,0.48120300751879697, +Dekois,SimilaritySearch_Mean,PIM-2,AUROC,0.9771986970684039, +Dekois,SimilaritySearch_Mean,PIM-2,BEDROC,0.707307275566044, +Dekois,SimilaritySearch_Mean,PIM-2,Enrichment factor 1%,25.833333333333332, +Dekois,SimilaritySearch_Mean,PIM-2,Enrichment factor 5%,12.916666666666666, +Dekois,SimilaritySearch_Mean,PIM-2,RIE,12.861371756842717, +Dekois,SimilaritySearch_Mean,PIM-2,AUPRC,0.48120300751879697, +Dekois,SimilaritySearch_Max,PIM-2,AUROC,0.996742671009772, +Dekois,SimilaritySearch_Max,PIM-2,BEDROC,0.9375209926774881, +Dekois,SimilaritySearch_Max,PIM-2,Enrichment factor 1%,77.5, +Dekois,SimilaritySearch_Max,PIM-2,Enrichment factor 5%,19.375, +Dekois,SimilaritySearch_Max,PIM-2,RIE,17.04747911231228, +Dekois,SimilaritySearch_Max,PIM-2,AUPRC,0.6388888888888888, +Dekois,LightGBM_Ranker,PIM-2,AUROC,0.997828447339848, +Dekois,LightGBM_Ranker,PIM-2,BEDROC,0.9597044644130285, +Dekois,LightGBM_Ranker,PIM-2,Enrichment factor 1%,77.5, +Dekois,LightGBM_Ranker,PIM-2,Enrichment factor 5%,19.375, +Dekois,LightGBM_Ranker,PIM-2,RIE,17.450853834579778, +Dekois,LightGBM_Ranker,PIM-2,AUPRC,0.8055555555555556, +Dekois,LightGBM_Ranker,PIM-2,accuracy,0.5096774193548387, +Dekois,LightGBM_Ranker,PIM-2,F1 score,0.0379746835443038, +Dekois,LightGBM_Ranker,PIM-2,recall,1.0, +Dekois,LightGBM_Ranker,PIM-2,precision,0.01935483870967742, +Dekois,LightGBM_Ranker,PIM-2,MCC,0.09885336094784052, Dekois,RandomForest,PPARA,AUROC,0.835923335923336, Dekois,RandomForest,PPARA,BEDROC,0.7475498886322381, Dekois,RandomForest,PPARA,Enrichment factor 1%,23.846153846153847, @@ -4893,12 +7851,29 @@ Dekois,LogisticRegression,PPARA,F1 score,0.5, Dekois,LogisticRegression,PPARA,recall,0.38461538461538464, Dekois,LogisticRegression,PPARA,precision,0.7142857142857143, Dekois,LogisticRegression,PPARA,MCC,0.5098413516306747, -Dekois,SimilaritySearch,PPARA,AUROC,0.7972027972027973, -Dekois,SimilaritySearch,PPARA,BEDROC,0.47704552417822066, -Dekois,SimilaritySearch,PPARA,Enrichment factor 1%,11.923076923076923, -Dekois,SimilaritySearch,PPARA,Enrichment factor 5%,7.451923076923077, -Dekois,SimilaritySearch,PPARA,RIE,6.4583503150541235, -Dekois,SimilaritySearch,PPARA,AUPRC,0.3186693613355509, +Dekois,SimilaritySearch_Mean,PPARA,AUROC,0.7972027972027973, +Dekois,SimilaritySearch_Mean,PPARA,BEDROC,0.47704552417822066, +Dekois,SimilaritySearch_Mean,PPARA,Enrichment factor 1%,11.923076923076923, +Dekois,SimilaritySearch_Mean,PPARA,Enrichment factor 5%,7.451923076923077, +Dekois,SimilaritySearch_Mean,PPARA,RIE,6.4583503150541235, +Dekois,SimilaritySearch_Mean,PPARA,AUPRC,0.3186693613355509, +Dekois,SimilaritySearch_Max,PPARA,AUROC,0.8236208236208237, +Dekois,SimilaritySearch_Max,PPARA,BEDROC,0.6834236008889628, +Dekois,SimilaritySearch_Max,PPARA,Enrichment factor 1%,23.846153846153847, +Dekois,SimilaritySearch_Max,PPARA,Enrichment factor 5%,11.923076923076923, +Dekois,SimilaritySearch_Max,PPARA,RIE,9.252343416066285, +Dekois,SimilaritySearch_Max,PPARA,AUPRC,0.5866384383478522, +Dekois,LightGBM_Ranker,PPARA,AUROC,0.8194768194768195, +Dekois,LightGBM_Ranker,PPARA,BEDROC,0.7246375470269774, +Dekois,LightGBM_Ranker,PPARA,Enrichment factor 1%,17.884615384615383, +Dekois,LightGBM_Ranker,PPARA,Enrichment factor 5%,13.413461538461538, +Dekois,LightGBM_Ranker,PPARA,RIE,9.810307144628863, +Dekois,LightGBM_Ranker,PPARA,AUPRC,0.5988826072471428, +Dekois,LightGBM_Ranker,PPARA,accuracy,0.5290322580645161, +Dekois,LightGBM_Ranker,PPARA,F1 score,0.13095238095238096, +Dekois,LightGBM_Ranker,PPARA,recall,0.8461538461538461, +Dekois,LightGBM_Ranker,PPARA,precision,0.07096774193548387, +Dekois,LightGBM_Ranker,PPARA,MCC,0.14484136487558028, Dekois,RandomForest,PPARG,AUROC,0.8741610738255033, Dekois,RandomForest,PPARG,BEDROC,0.7014720815720107, Dekois,RandomForest,PPARG,Enrichment factor 1%,25.833333333333332, @@ -4921,12 +7896,29 @@ Dekois,LogisticRegression,PPARG,F1 score,0.5, Dekois,LogisticRegression,PPARG,recall,0.4166666666666667, Dekois,LogisticRegression,PPARG,precision,0.625, Dekois,LogisticRegression,PPARG,MCC,0.49467183810837145, -Dekois,SimilaritySearch,PPARG,AUROC,0.7248322147651007, -Dekois,SimilaritySearch,PPARG,BEDROC,0.40976392727195293, -Dekois,SimilaritySearch,PPARG,Enrichment factor 1%,6.458333333333333, -Dekois,SimilaritySearch,PPARG,Enrichment factor 5%,8.072916666666666, -Dekois,SimilaritySearch,PPARG,RIE,5.7048224136471415, -Dekois,SimilaritySearch,PPARG,AUPRC,0.20757939519590585, +Dekois,SimilaritySearch_Mean,PPARG,AUROC,0.7248322147651007, +Dekois,SimilaritySearch_Mean,PPARG,BEDROC,0.40976392727195293, +Dekois,SimilaritySearch_Mean,PPARG,Enrichment factor 1%,6.458333333333333, +Dekois,SimilaritySearch_Mean,PPARG,Enrichment factor 5%,8.072916666666666, +Dekois,SimilaritySearch_Mean,PPARG,RIE,5.7048224136471415, +Dekois,SimilaritySearch_Mean,PPARG,AUPRC,0.20757939519590585, +Dekois,SimilaritySearch_Max,PPARG,AUROC,0.7589485458612975, +Dekois,SimilaritySearch_Max,PPARG,BEDROC,0.4190127670235437, +Dekois,SimilaritySearch_Max,PPARG,Enrichment factor 1%,12.916666666666666, +Dekois,SimilaritySearch_Max,PPARG,Enrichment factor 5%,6.458333333333333, +Dekois,SimilaritySearch_Max,PPARG,RIE,5.833586768505714, +Dekois,SimilaritySearch_Max,PPARG,AUPRC,0.3091580067478231, +Dekois,LightGBM_Ranker,PPARG,AUROC,0.8878635346756152, +Dekois,LightGBM_Ranker,PPARG,BEDROC,0.730108239296674, +Dekois,LightGBM_Ranker,PPARG,Enrichment factor 1%,25.833333333333332, +Dekois,LightGBM_Ranker,PPARG,Enrichment factor 5%,12.916666666666666, +Dekois,LightGBM_Ranker,PPARG,RIE,10.164725469420366, +Dekois,LightGBM_Ranker,PPARG,AUPRC,0.6462214452634176, +Dekois,LightGBM_Ranker,PPARG,accuracy,0.532258064516129, +Dekois,LightGBM_Ranker,PPARG,F1 score,0.1317365269461078, +Dekois,LightGBM_Ranker,PPARG,recall,0.9166666666666666, +Dekois,LightGBM_Ranker,PPARG,precision,0.07096774193548387, +Dekois,LightGBM_Ranker,PPARG,MCC,0.16722501552266278, Dekois,RandomForest,PR,AUROC,0.9678411633109619, Dekois,RandomForest,PR,BEDROC,0.8528870925829629, Dekois,RandomForest,PR,Enrichment factor 1%,25.833333333333332, @@ -4949,12 +7941,29 @@ Dekois,LogisticRegression,PR,F1 score,0.7619047619047619, Dekois,LogisticRegression,PR,recall,0.6666666666666666, Dekois,LogisticRegression,PR,precision,0.8888888888888888, Dekois,LogisticRegression,PR,MCC,0.7620990620371858, -Dekois,SimilaritySearch,PR,AUROC,0.8157158836689038, -Dekois,SimilaritySearch,PR,BEDROC,0.4152838074821976, -Dekois,SimilaritySearch,PR,Enrichment factor 1%,12.916666666666666, -Dekois,SimilaritySearch,PR,Enrichment factor 5%,8.072916666666666, -Dekois,SimilaritySearch,PR,RIE,5.7816713842487255, -Dekois,SimilaritySearch,PR,AUPRC,0.31468444045081945, +Dekois,SimilaritySearch_Mean,PR,AUROC,0.8157158836689038, +Dekois,SimilaritySearch_Mean,PR,BEDROC,0.4152838074821976, +Dekois,SimilaritySearch_Mean,PR,Enrichment factor 1%,12.916666666666666, +Dekois,SimilaritySearch_Mean,PR,Enrichment factor 5%,8.072916666666666, +Dekois,SimilaritySearch_Mean,PR,RIE,5.7816713842487255, +Dekois,SimilaritySearch_Mean,PR,AUPRC,0.31468444045081945, +Dekois,SimilaritySearch_Max,PR,AUROC,0.9381991051454139, +Dekois,SimilaritySearch_Max,PR,BEDROC,0.7859290974731759, +Dekois,SimilaritySearch_Max,PR,Enrichment factor 1%,25.833333333333332, +Dekois,SimilaritySearch_Max,PR,Enrichment factor 5%,14.53125, +Dekois,SimilaritySearch_Max,PR,RIE,10.941875575141777, +Dekois,SimilaritySearch_Max,PR,AUPRC,0.7225626788806694, +Dekois,LightGBM_Ranker,PR,AUROC,0.962248322147651, +Dekois,LightGBM_Ranker,PR,BEDROC,0.7705576047384032, +Dekois,LightGBM_Ranker,PR,Enrichment factor 1%,25.833333333333332, +Dekois,LightGBM_Ranker,PR,Enrichment factor 5%,12.916666666666666, +Dekois,LightGBM_Ranker,PR,RIE,10.727870316280436, +Dekois,LightGBM_Ranker,PR,AUPRC,0.6933342570081161, +Dekois,LightGBM_Ranker,PR,accuracy,0.5387096774193548, +Dekois,LightGBM_Ranker,PR,F1 score,0.1437125748502994, +Dekois,LightGBM_Ranker,PR,recall,1.0, +Dekois,LightGBM_Ranker,PR,precision,0.07741935483870968, +Dekois,LightGBM_Ranker,PR,MCC,0.20067001862719533, Dekois,RandomForest,ROCK-1,AUROC,0.9515728476821192, Dekois,RandomForest,ROCK-1,BEDROC,0.6848477998002296, Dekois,RandomForest,ROCK-1,Enrichment factor 1%,19.375, @@ -4977,12 +7986,29 @@ Dekois,LogisticRegression,ROCK-1,F1 score,0.5333333333333333, Dekois,LogisticRegression,ROCK-1,recall,0.5, Dekois,LogisticRegression,ROCK-1,precision,0.5714285714285714, Dekois,LogisticRegression,ROCK-1,MCC,0.5230375912183104, -Dekois,SimilaritySearch,ROCK-1,AUROC,0.892384105960265, -Dekois,SimilaritySearch,ROCK-1,BEDROC,0.3451925166533396, -Dekois,SimilaritySearch,ROCK-1,Enrichment factor 1%,9.6875, -Dekois,SimilaritySearch,ROCK-1,Enrichment factor 5%,4.84375, -Dekois,SimilaritySearch,ROCK-1,RIE,5.392935090968158, -Dekois,SimilaritySearch,ROCK-1,AUPRC,0.24520682257524362, +Dekois,SimilaritySearch_Mean,ROCK-1,AUROC,0.892384105960265, +Dekois,SimilaritySearch_Mean,ROCK-1,BEDROC,0.3451925166533396, +Dekois,SimilaritySearch_Mean,ROCK-1,Enrichment factor 1%,9.6875, +Dekois,SimilaritySearch_Mean,ROCK-1,Enrichment factor 5%,4.84375, +Dekois,SimilaritySearch_Mean,ROCK-1,RIE,5.392935090968158, +Dekois,SimilaritySearch_Mean,ROCK-1,AUPRC,0.24520682257524362, +Dekois,SimilaritySearch_Max,ROCK-1,AUROC,0.9505380794701986, +Dekois,SimilaritySearch_Max,ROCK-1,BEDROC,0.6340275135346823, +Dekois,SimilaritySearch_Max,ROCK-1,Enrichment factor 1%,19.375, +Dekois,SimilaritySearch_Max,ROCK-1,Enrichment factor 5%,12.109375, +Dekois,SimilaritySearch_Max,ROCK-1,RIE,9.905397845661852, +Dekois,SimilaritySearch_Max,ROCK-1,AUPRC,0.46398944773512896, +Dekois,LightGBM_Ranker,ROCK-1,AUROC,0.9602649006622517, +Dekois,LightGBM_Ranker,ROCK-1,BEDROC,0.6575882230188707, +Dekois,LightGBM_Ranker,ROCK-1,Enrichment factor 1%,19.375, +Dekois,LightGBM_Ranker,ROCK-1,Enrichment factor 5%,12.109375, +Dekois,LightGBM_Ranker,ROCK-1,RIE,10.273486287746433, +Dekois,LightGBM_Ranker,ROCK-1,AUPRC,0.5216520056298382, +Dekois,LightGBM_Ranker,ROCK-1,accuracy,0.5258064516129032, +Dekois,LightGBM_Ranker,ROCK-1,F1 score,0.09815950920245399, +Dekois,LightGBM_Ranker,ROCK-1,recall,1.0, +Dekois,LightGBM_Ranker,ROCK-1,precision,0.05161290322580645, +Dekois,LightGBM_Ranker,ROCK-1,MCC,0.16275769175423188, Dekois,RandomForest,SARS-HCoV,AUROC,0.9370370370370371, Dekois,RandomForest,SARS-HCoV,BEDROC,0.6692083771052296, Dekois,RandomForest,SARS-HCoV,Enrichment factor 1%,45.3, @@ -5005,12 +8031,29 @@ Dekois,LogisticRegression,SARS-HCoV,F1 score,0.42857142857142855, Dekois,LogisticRegression,SARS-HCoV,recall,0.6, Dekois,LogisticRegression,SARS-HCoV,precision,0.3333333333333333, Dekois,LogisticRegression,SARS-HCoV,MCC,0.43509576862442684, -Dekois,SimilaritySearch,SARS-HCoV,AUROC,0.5818181818181818, -Dekois,SimilaritySearch,SARS-HCoV,BEDROC,0.26796614168643734, -Dekois,SimilaritySearch,SARS-HCoV,Enrichment factor 1%,15.1, -Dekois,SimilaritySearch,SARS-HCoV,Enrichment factor 5%,3.775, -Dekois,SimilaritySearch,SARS-HCoV,RIE,4.562355614039354, -Dekois,SimilaritySearch,SARS-HCoV,AUPRC,0.2266383517267108, +Dekois,SimilaritySearch_Mean,SARS-HCoV,AUROC,0.5818181818181818, +Dekois,SimilaritySearch_Mean,SARS-HCoV,BEDROC,0.26796614168643734, +Dekois,SimilaritySearch_Mean,SARS-HCoV,Enrichment factor 1%,15.1, +Dekois,SimilaritySearch_Mean,SARS-HCoV,Enrichment factor 5%,3.775, +Dekois,SimilaritySearch_Mean,SARS-HCoV,RIE,4.562355614039354, +Dekois,SimilaritySearch_Mean,SARS-HCoV,AUPRC,0.2266383517267108, +Dekois,SimilaritySearch_Max,SARS-HCoV,AUROC,0.7043771043771043, +Dekois,SimilaritySearch_Max,SARS-HCoV,BEDROC,0.5694476469619003, +Dekois,SimilaritySearch_Max,SARS-HCoV,Enrichment factor 1%,30.2, +Dekois,SimilaritySearch_Max,SARS-HCoV,Enrichment factor 5%,11.325, +Dekois,SimilaritySearch_Max,SARS-HCoV,RIE,9.695339261649652, +Dekois,SimilaritySearch_Max,SARS-HCoV,AUPRC,0.4165058787537459, +Dekois,LightGBM_Ranker,SARS-HCoV,AUROC,0.8929292929292929, +Dekois,LightGBM_Ranker,SARS-HCoV,BEDROC,0.6796784132161027, +Dekois,LightGBM_Ranker,SARS-HCoV,Enrichment factor 1%,30.2, +Dekois,LightGBM_Ranker,SARS-HCoV,Enrichment factor 5%,11.325, +Dekois,LightGBM_Ranker,SARS-HCoV,RIE,11.572113494050383, +Dekois,LightGBM_Ranker,SARS-HCoV,AUPRC,0.507148913619502, +Dekois,LightGBM_Ranker,SARS-HCoV,accuracy,0.5165562913907285, +Dekois,LightGBM_Ranker,SARS-HCoV,F1 score,0.0641025641025641, +Dekois,LightGBM_Ranker,SARS-HCoV,recall,1.0, +Dekois,LightGBM_Ranker,SARS-HCoV,precision,0.033112582781456956, +Dekois,LightGBM_Ranker,SARS-HCoV,MCC,0.1297498240269205, Dekois,RandomForest,SIRT2,AUROC,0.9086666666666666, Dekois,RandomForest,SIRT2,BEDROC,0.8751702505143569, Dekois,RandomForest,SIRT2,Enrichment factor 1%,31.0, @@ -5033,12 +8076,29 @@ Dekois,LogisticRegression,SIRT2,F1 score,0.3076923076923077, Dekois,LogisticRegression,SIRT2,recall,0.2, Dekois,LogisticRegression,SIRT2,precision,0.6666666666666666, Dekois,LogisticRegression,SIRT2,MCC,0.35494541387817985, -Dekois,SimilaritySearch,SIRT2,AUROC,0.8526666666666667, -Dekois,SimilaritySearch,SIRT2,BEDROC,0.5323657658874922, -Dekois,SimilaritySearch,SIRT2,Enrichment factor 1%,23.25, -Dekois,SimilaritySearch,SIRT2,Enrichment factor 5%,9.6875, -Dekois,SimilaritySearch,SIRT2,RIE,7.846051577131813, -Dekois,SimilaritySearch,SIRT2,AUPRC,0.386149160986181, +Dekois,SimilaritySearch_Mean,SIRT2,AUROC,0.8526666666666667, +Dekois,SimilaritySearch_Mean,SIRT2,BEDROC,0.5323657658874922, +Dekois,SimilaritySearch_Mean,SIRT2,Enrichment factor 1%,23.25, +Dekois,SimilaritySearch_Mean,SIRT2,Enrichment factor 5%,9.6875, +Dekois,SimilaritySearch_Mean,SIRT2,RIE,7.846051577131813, +Dekois,SimilaritySearch_Mean,SIRT2,AUPRC,0.386149160986181, +Dekois,SimilaritySearch_Max,SIRT2,AUROC,0.9613333333333334, +Dekois,SimilaritySearch_Max,SIRT2,BEDROC,0.8545694798938811, +Dekois,SimilaritySearch_Max,SIRT2,Enrichment factor 1%,31.0, +Dekois,SimilaritySearch_Max,SIRT2,Enrichment factor 5%,15.5, +Dekois,SimilaritySearch_Max,SIRT2,RIE,12.594717065726593, +Dekois,SimilaritySearch_Max,SIRT2,AUPRC,0.7932093996459036, +Dekois,LightGBM_Ranker,SIRT2,AUROC,0.9249999999999999, +Dekois,LightGBM_Ranker,SIRT2,BEDROC,0.7680358860016142, +Dekois,LightGBM_Ranker,SIRT2,Enrichment factor 1%,23.25, +Dekois,LightGBM_Ranker,SIRT2,Enrichment factor 5%,13.5625, +Dekois,LightGBM_Ranker,SIRT2,RIE,11.319377666900992, +Dekois,LightGBM_Ranker,SIRT2,AUPRC,0.6500334070892446, +Dekois,LightGBM_Ranker,SIRT2,accuracy,0.5258064516129032, +Dekois,LightGBM_Ranker,SIRT2,F1 score,0.10909090909090909, +Dekois,LightGBM_Ranker,SIRT2,recall,0.9, +Dekois,LightGBM_Ranker,SIRT2,precision,0.05806451612903226, +Dekois,LightGBM_Ranker,SIRT2,MCC,0.1460593486680443, Dekois,RandomForest,SRC,AUROC,0.7954874517374517, Dekois,RandomForest,SRC,BEDROC,0.5935379200057497, Dekois,RandomForest,SRC,Enrichment factor 1%,11.071428571428571, @@ -5061,12 +8121,29 @@ Dekois,LogisticRegression,SRC,F1 score,0.0, Dekois,LogisticRegression,SRC,recall,0.0, Dekois,LogisticRegression,SRC,precision,0.0, Dekois,LogisticRegression,SRC,MCC,0.0, -Dekois,SimilaritySearch,SRC,AUROC,0.8139478764478764, -Dekois,SimilaritySearch,SRC,BEDROC,0.45513816391602335, -Dekois,SimilaritySearch,SRC,Enrichment factor 1%,11.071428571428571, -Dekois,SimilaritySearch,SRC,Enrichment factor 5%,8.303571428571429, -Dekois,SimilaritySearch,SRC,RIE,5.993822465057466, -Dekois,SimilaritySearch,SRC,AUPRC,0.2856691752126607, +Dekois,SimilaritySearch_Mean,SRC,AUROC,0.8139478764478764, +Dekois,SimilaritySearch_Mean,SRC,BEDROC,0.45513816391602335, +Dekois,SimilaritySearch_Mean,SRC,Enrichment factor 1%,11.071428571428571, +Dekois,SimilaritySearch_Mean,SRC,Enrichment factor 5%,8.303571428571429, +Dekois,SimilaritySearch_Mean,SRC,RIE,5.993822465057466, +Dekois,SimilaritySearch_Mean,SRC,AUPRC,0.2856691752126607, +Dekois,SimilaritySearch_Max,SRC,AUROC,0.8589527027027027, +Dekois,SimilaritySearch_Max,SRC,BEDROC,0.4412898498983122, +Dekois,SimilaritySearch_Max,SRC,Enrichment factor 1%,11.071428571428571, +Dekois,SimilaritySearch_Max,SRC,Enrichment factor 5%,5.535714285714286, +Dekois,SimilaritySearch_Max,SRC,RIE,5.81145073419488, +Dekois,SimilaritySearch_Max,SRC,AUPRC,0.2989104373539536, +Dekois,LightGBM_Ranker,SRC,AUROC,0.7917471042471043, +Dekois,LightGBM_Ranker,SRC,BEDROC,0.6120724808704131, +Dekois,LightGBM_Ranker,SRC,Enrichment factor 1%,11.071428571428571, +Dekois,LightGBM_Ranker,SRC,Enrichment factor 5%,11.071428571428571, +Dekois,LightGBM_Ranker,SRC,RIE,8.060527695607991, +Dekois,LightGBM_Ranker,SRC,AUPRC,0.45679747157466855, +Dekois,LightGBM_Ranker,SRC,accuracy,0.5258064516129032, +Dekois,LightGBM_Ranker,SRC,F1 score,0.1301775147928994, +Dekois,LightGBM_Ranker,SRC,recall,0.7857142857142857, +Dekois,LightGBM_Ranker,SRC,precision,0.07096774193548387, +Dekois,LightGBM_Ranker,SRC,MCC,0.12427395320024001, Dekois,RandomForest,Thrombin,AUROC,0.9168064876957495, Dekois,RandomForest,Thrombin,BEDROC,0.7180010350485215, Dekois,RandomForest,Thrombin,Enrichment factor 1%,25.833333333333332, @@ -5089,12 +8166,29 @@ Dekois,LogisticRegression,Thrombin,F1 score,0.4, Dekois,LogisticRegression,Thrombin,recall,0.25, Dekois,LogisticRegression,Thrombin,precision,1.0, Dekois,LogisticRegression,Thrombin,MCC,0.49261649360530646, -Dekois,SimilaritySearch,Thrombin,AUROC,0.6859619686800895, -Dekois,SimilaritySearch,Thrombin,BEDROC,0.333602263798799, -Dekois,SimilaritySearch,Thrombin,Enrichment factor 1%,6.458333333333333, -Dekois,SimilaritySearch,Thrombin,Enrichment factor 5%,4.84375, -Dekois,SimilaritySearch,Thrombin,RIE,4.644483200786453, -Dekois,SimilaritySearch,Thrombin,AUPRC,0.22071162443867387, +Dekois,SimilaritySearch_Mean,Thrombin,AUROC,0.6859619686800895, +Dekois,SimilaritySearch_Mean,Thrombin,BEDROC,0.333602263798799, +Dekois,SimilaritySearch_Mean,Thrombin,Enrichment factor 1%,6.458333333333333, +Dekois,SimilaritySearch_Mean,Thrombin,Enrichment factor 5%,4.84375, +Dekois,SimilaritySearch_Mean,Thrombin,RIE,4.644483200786453, +Dekois,SimilaritySearch_Mean,Thrombin,AUPRC,0.22071162443867387, +Dekois,SimilaritySearch_Max,Thrombin,AUROC,0.7807606263982103, +Dekois,SimilaritySearch_Max,Thrombin,BEDROC,0.5033817114894535, +Dekois,SimilaritySearch_Max,Thrombin,Enrichment factor 1%,19.375, +Dekois,SimilaritySearch_Max,Thrombin,Enrichment factor 5%,6.458333333333333, +Dekois,SimilaritySearch_Max,Thrombin,RIE,7.0081895290717755, +Dekois,SimilaritySearch_Max,Thrombin,AUPRC,0.40713261270822865, +Dekois,LightGBM_Ranker,Thrombin,AUROC,0.9306487695749441, +Dekois,LightGBM_Ranker,Thrombin,BEDROC,0.72919349223523, +Dekois,LightGBM_Ranker,Thrombin,Enrichment factor 1%,25.833333333333332, +Dekois,LightGBM_Ranker,Thrombin,Enrichment factor 5%,11.302083333333334, +Dekois,LightGBM_Ranker,Thrombin,RIE,10.15199016224788, +Dekois,LightGBM_Ranker,Thrombin,AUPRC,0.6691837728516359, +Dekois,LightGBM_Ranker,Thrombin,accuracy,0.5387096774193548, +Dekois,LightGBM_Ranker,Thrombin,F1 score,0.1437125748502994, +Dekois,LightGBM_Ranker,Thrombin,recall,1.0, +Dekois,LightGBM_Ranker,Thrombin,precision,0.07741935483870968, +Dekois,LightGBM_Ranker,Thrombin,MCC,0.20067001862719533, Dekois,RandomForest,TIE2,AUROC,0.9519596651445966, Dekois,RandomForest,TIE2,BEDROC,0.721244328123689, Dekois,RandomForest,TIE2,Enrichment factor 1%,17.22222222222222, @@ -5117,12 +8211,29 @@ Dekois,LogisticRegression,TIE2,F1 score,0.5, Dekois,LogisticRegression,TIE2,recall,0.4444444444444444, Dekois,LogisticRegression,TIE2,precision,0.5714285714285714, Dekois,LogisticRegression,TIE2,MCC,0.47739474579922037, -Dekois,SimilaritySearch,TIE2,AUROC,0.8997336377473364, -Dekois,SimilaritySearch,TIE2,BEDROC,0.6808416542697917, -Dekois,SimilaritySearch,TIE2,Enrichment factor 1%,17.22222222222222, -Dekois,SimilaritySearch,TIE2,Enrichment factor 5%,10.76388888888889, -Dekois,SimilaritySearch,TIE2,RIE,8.05453071105747, -Dekois,SimilaritySearch,TIE2,AUPRC,0.586489879425536, +Dekois,SimilaritySearch_Mean,TIE2,AUROC,0.8997336377473364, +Dekois,SimilaritySearch_Mean,TIE2,BEDROC,0.6808416542697917, +Dekois,SimilaritySearch_Mean,TIE2,Enrichment factor 1%,17.22222222222222, +Dekois,SimilaritySearch_Mean,TIE2,Enrichment factor 5%,10.76388888888889, +Dekois,SimilaritySearch_Mean,TIE2,RIE,8.05453071105747, +Dekois,SimilaritySearch_Mean,TIE2,AUPRC,0.586489879425536, +Dekois,SimilaritySearch_Max,TIE2,AUROC,0.9030631659056317, +Dekois,SimilaritySearch_Max,TIE2,BEDROC,0.6742549190611589, +Dekois,SimilaritySearch_Max,TIE2,Enrichment factor 1%,12.916666666666666, +Dekois,SimilaritySearch_Max,TIE2,Enrichment factor 5%,10.76388888888889, +Dekois,SimilaritySearch_Max,TIE2,RIE,7.976607951517387, +Dekois,SimilaritySearch_Max,TIE2,AUPRC,0.529238906836946, +Dekois,LightGBM_Ranker,TIE2,AUROC,0.9389269406392693, +Dekois,LightGBM_Ranker,TIE2,BEDROC,0.7157580872468466, +Dekois,LightGBM_Ranker,TIE2,Enrichment factor 1%,12.916666666666666, +Dekois,LightGBM_Ranker,TIE2,Enrichment factor 5%,10.76388888888889, +Dekois,LightGBM_Ranker,TIE2,RIE,8.467601029612636, +Dekois,LightGBM_Ranker,TIE2,AUPRC,0.6128972748233713, +Dekois,LightGBM_Ranker,TIE2,accuracy,0.5580645161290323, +Dekois,LightGBM_Ranker,TIE2,F1 score,0.20809248554913296, +Dekois,LightGBM_Ranker,TIE2,recall,1.0, +Dekois,LightGBM_Ranker,TIE2,precision,0.11612903225806452, +Dekois,LightGBM_Ranker,TIE2,MCC,0.24828176658071038, Dekois,RandomForest,TK,AUROC,0.9869706840390879, Dekois,RandomForest,TK,BEDROC,0.8318157387018411, Dekois,RandomForest,TK,Enrichment factor 1%,51.666666666666664, @@ -5145,12 +8256,29 @@ Dekois,LogisticRegression,TK,F1 score,0.6666666666666666, Dekois,LogisticRegression,TK,recall,0.6666666666666666, Dekois,LogisticRegression,TK,precision,0.6666666666666666, Dekois,LogisticRegression,TK,MCC,0.6634093376764386, -Dekois,SimilaritySearch,TK,AUROC,0.9761129207383279, -Dekois,SimilaritySearch,TK,BEDROC,0.7634074456866158, -Dekois,SimilaritySearch,TK,Enrichment factor 1%,51.666666666666664, -Dekois,SimilaritySearch,TK,Enrichment factor 5%,12.916666666666666, -Dekois,SimilaritySearch,TK,RIE,13.881473155366834, -Dekois,SimilaritySearch,TK,AUPRC,0.7066666666666666, +Dekois,SimilaritySearch_Mean,TK,AUROC,0.9761129207383279, +Dekois,SimilaritySearch_Mean,TK,BEDROC,0.7634074456866158, +Dekois,SimilaritySearch_Mean,TK,Enrichment factor 1%,51.666666666666664, +Dekois,SimilaritySearch_Mean,TK,Enrichment factor 5%,12.916666666666666, +Dekois,SimilaritySearch_Mean,TK,RIE,13.881473155366834, +Dekois,SimilaritySearch_Mean,TK,AUPRC,0.7066666666666666, +Dekois,SimilaritySearch_Max,TK,AUROC,1.0, +Dekois,SimilaritySearch_Max,TK,BEDROC,1.0000000000000004, +Dekois,SimilaritySearch_Max,TK,Enrichment factor 1%,77.5, +Dekois,SimilaritySearch_Max,TK,Enrichment factor 5%,19.375, +Dekois,SimilaritySearch_Max,TK,RIE,18.1835705468144, +Dekois,SimilaritySearch_Max,TK,AUPRC,1.0, +Dekois,LightGBM_Ranker,TK,AUROC,0.7274701411509229, +Dekois,LightGBM_Ranker,TK,BEDROC,0.687926165648091, +Dekois,LightGBM_Ranker,TK,Enrichment factor 1%,51.666666666666664, +Dekois,LightGBM_Ranker,TK,Enrichment factor 5%,12.916666666666666, +Dekois,LightGBM_Ranker,TK,RIE,12.508953978255558, +Dekois,LightGBM_Ranker,TK,AUPRC,0.6706036745406824, +Dekois,LightGBM_Ranker,TK,accuracy,0.5032258064516129, +Dekois,LightGBM_Ranker,TK,F1 score,0.02531645569620253, +Dekois,LightGBM_Ranker,TK,recall,0.6666666666666666, +Dekois,LightGBM_Ranker,TK,precision,0.012903225806451613, +Dekois,LightGBM_Ranker,TK,MCC,0.03295112031594684, Dekois,RandomForest,TPA,AUROC,0.9960655737704918, Dekois,RandomForest,TPA,BEDROC,0.9438103090633705, Dekois,RandomForest,TPA,Enrichment factor 1%,62.0, @@ -5173,12 +8301,29 @@ Dekois,LogisticRegression,TPA,F1 score,0.8888888888888888, Dekois,LogisticRegression,TPA,recall,0.8, Dekois,LogisticRegression,TPA,precision,1.0, Dekois,LogisticRegression,TPA,MCC,0.892964512685153, -Dekois,SimilaritySearch,TPA,AUROC,0.7901639344262295, -Dekois,SimilaritySearch,TPA,BEDROC,0.24460033438715587, -Dekois,SimilaritySearch,TPA,Enrichment factor 1%,15.5, -Dekois,SimilaritySearch,TPA,Enrichment factor 5%,3.875, -Dekois,SimilaritySearch,TPA,RIE,4.181392315734044, -Dekois,SimilaritySearch,TPA,AUPRC,0.23455126714717509, +Dekois,SimilaritySearch_Mean,TPA,AUROC,0.7901639344262295, +Dekois,SimilaritySearch_Mean,TPA,BEDROC,0.24460033438715587, +Dekois,SimilaritySearch_Mean,TPA,Enrichment factor 1%,15.5, +Dekois,SimilaritySearch_Mean,TPA,Enrichment factor 5%,3.875, +Dekois,SimilaritySearch_Mean,TPA,RIE,4.181392315734044, +Dekois,SimilaritySearch_Mean,TPA,AUPRC,0.23455126714717509, +Dekois,SimilaritySearch_Max,TPA,AUROC,1.0, +Dekois,SimilaritySearch_Max,TPA,BEDROC,1.0000000000000004, +Dekois,SimilaritySearch_Max,TPA,Enrichment factor 1%,62.0, +Dekois,SimilaritySearch_Max,TPA,Enrichment factor 5%,19.375, +Dekois,SimilaritySearch_Max,TPA,RIE,17.094793796833716, +Dekois,SimilaritySearch_Max,TPA,AUPRC,1.0, +Dekois,LightGBM_Ranker,TPA,AUROC,0.8859016393442624, +Dekois,LightGBM_Ranker,TPA,BEDROC,0.8008326432223661, +Dekois,LightGBM_Ranker,TPA,Enrichment factor 1%,46.5, +Dekois,LightGBM_Ranker,TPA,Enrichment factor 5%,15.5, +Dekois,LightGBM_Ranker,TPA,RIE,13.690068911348837, +Dekois,LightGBM_Ranker,TPA,AUPRC,0.7156497175141242, +Dekois,LightGBM_Ranker,TPA,accuracy,0.5096774193548387, +Dekois,LightGBM_Ranker,TPA,F1 score,0.05, +Dekois,LightGBM_Ranker,TPA,recall,0.8, +Dekois,LightGBM_Ranker,TPA,precision,0.025806451612903226, +Dekois,LightGBM_Ranker,TPA,MCC,0.07682212795973759, Dekois,RandomForest,VEGFR1,AUROC,0.9092261904761906, Dekois,RandomForest,VEGFR1,BEDROC,0.5971253024289752, Dekois,RandomForest,VEGFR1,Enrichment factor 1%,19.375, @@ -5201,12 +8346,29 @@ Dekois,LogisticRegression,VEGFR1,F1 score,0.3333333333333333, Dekois,LogisticRegression,VEGFR1,recall,0.25, Dekois,LogisticRegression,VEGFR1,precision,0.5, Dekois,LogisticRegression,VEGFR1,MCC,0.3298546917561724, -Dekois,SimilaritySearch,VEGFR1,AUROC,0.8537414965986395, -Dekois,SimilaritySearch,VEGFR1,BEDROC,0.43878954837557504, -Dekois,SimilaritySearch,VEGFR1,Enrichment factor 1%,4.84375, -Dekois,SimilaritySearch,VEGFR1,Enrichment factor 5%,7.265625, -Dekois,SimilaritySearch,VEGFR1,RIE,5.473281664439935, -Dekois,SimilaritySearch,VEGFR1,AUPRC,0.3030853926411155, +Dekois,SimilaritySearch_Mean,VEGFR1,AUROC,0.8537414965986395, +Dekois,SimilaritySearch_Mean,VEGFR1,BEDROC,0.43878954837557504, +Dekois,SimilaritySearch_Mean,VEGFR1,Enrichment factor 1%,4.84375, +Dekois,SimilaritySearch_Mean,VEGFR1,Enrichment factor 5%,7.265625, +Dekois,SimilaritySearch_Mean,VEGFR1,RIE,5.473281664439935, +Dekois,SimilaritySearch_Mean,VEGFR1,AUPRC,0.3030853926411155, +Dekois,SimilaritySearch_Max,VEGFR1,AUROC,0.8825467687074829, +Dekois,SimilaritySearch_Max,VEGFR1,BEDROC,0.5359853443735021, +Dekois,SimilaritySearch_Max,VEGFR1,Enrichment factor 1%,19.375, +Dekois,SimilaritySearch_Max,VEGFR1,Enrichment factor 5%,7.265625, +Dekois,SimilaritySearch_Max,VEGFR1,RIE,6.6856623217507245, +Dekois,SimilaritySearch_Max,VEGFR1,AUPRC,0.45538013113320663, +Dekois,LightGBM_Ranker,VEGFR1,AUROC,0.873937074829932, +Dekois,LightGBM_Ranker,VEGFR1,BEDROC,0.5207468847212864, +Dekois,LightGBM_Ranker,VEGFR1,Enrichment factor 1%,14.53125, +Dekois,LightGBM_Ranker,VEGFR1,Enrichment factor 5%,7.265625, +Dekois,LightGBM_Ranker,VEGFR1,RIE,6.4955840005654, +Dekois,LightGBM_Ranker,VEGFR1,AUPRC,0.42120674003372544, +Dekois,LightGBM_Ranker,VEGFR1,accuracy,0.5451612903225806, +Dekois,LightGBM_Ranker,VEGFR1,F1 score,0.17543859649122806, +Dekois,LightGBM_Ranker,VEGFR1,recall,0.9375, +Dekois,LightGBM_Ranker,VEGFR1,precision,0.0967741935483871, +Dekois,LightGBM_Ranker,VEGFR1,MCC,0.20412414523193148, Dekois,RandomForest,VEGFR2,AUROC,0.8801445492872916, Dekois,RandomForest,VEGFR2,BEDROC,0.5880433707515158, Dekois,RandomForest,VEGFR2,Enrichment factor 1%,13.676470588235293, @@ -5229,12 +8391,29 @@ Dekois,LogisticRegression,VEGFR2,F1 score,0.4444444444444444, Dekois,LogisticRegression,VEGFR2,recall,0.35294117647058826, Dekois,LogisticRegression,VEGFR2,precision,0.6, Dekois,LogisticRegression,VEGFR2,MCC,0.4371875706834712, -Dekois,SimilaritySearch,VEGFR2,AUROC,0.773740212808673, -Dekois,SimilaritySearch,VEGFR2,BEDROC,0.2581539663271843, -Dekois,SimilaritySearch,VEGFR2,Enrichment factor 1%,4.5588235294117645, -Dekois,SimilaritySearch,VEGFR2,Enrichment factor 5%,3.4191176470588234, -Dekois,SimilaritySearch,VEGFR2,RIE,3.1354554595305055, -Dekois,SimilaritySearch,VEGFR2,AUPRC,0.2035134342622226, +Dekois,SimilaritySearch_Mean,VEGFR2,AUROC,0.773740212808673, +Dekois,SimilaritySearch_Mean,VEGFR2,BEDROC,0.2581539663271843, +Dekois,SimilaritySearch_Mean,VEGFR2,Enrichment factor 1%,4.5588235294117645, +Dekois,SimilaritySearch_Mean,VEGFR2,Enrichment factor 5%,3.4191176470588234, +Dekois,SimilaritySearch_Mean,VEGFR2,RIE,3.1354554595305055, +Dekois,SimilaritySearch_Mean,VEGFR2,AUPRC,0.2035134342622226, +Dekois,SimilaritySearch_Max,VEGFR2,AUROC,0.8304557317807668, +Dekois,SimilaritySearch_Max,VEGFR2,BEDROC,0.35971842818073957, +Dekois,SimilaritySearch_Max,VEGFR2,Enrichment factor 1%,13.676470588235293, +Dekois,SimilaritySearch_Max,VEGFR2,Enrichment factor 5%,4.5588235294117645, +Dekois,SimilaritySearch_Max,VEGFR2,RIE,4.369024880639777, +Dekois,SimilaritySearch_Max,VEGFR2,AUPRC,0.263748252335221, +Dekois,LightGBM_Ranker,VEGFR2,AUROC,0.8899819313390885, +Dekois,LightGBM_Ranker,VEGFR2,BEDROC,0.5063193353975008, +Dekois,LightGBM_Ranker,VEGFR2,Enrichment factor 1%,18.235294117647058, +Dekois,LightGBM_Ranker,VEGFR2,Enrichment factor 5%,6.838235294117647, +Dekois,LightGBM_Ranker,VEGFR2,RIE,6.149592541306644, +Dekois,LightGBM_Ranker,VEGFR2,AUPRC,0.43410245921767576, +Dekois,LightGBM_Ranker,VEGFR2,accuracy,0.5548387096774193, +Dekois,LightGBM_Ranker,VEGFR2,F1 score,0.19767441860465115, +Dekois,LightGBM_Ranker,VEGFR2,recall,1.0, +Dekois,LightGBM_Ranker,VEGFR2,precision,0.10967741935483871, +Dekois,LightGBM_Ranker,VEGFR2,MCC,0.24087440257466058, DUD-E,RandomForest,abl1,AUROC,0.9446775997018264, DUD-E,RandomForest,abl1,BEDROC,0.7985700503005431, DUD-E,RandomForest,abl1,Enrichment factor 1%,48.80357142857143, @@ -5257,12 +8436,29 @@ DUD-E,LogisticRegression,abl1,F1 score,0.575, DUD-E,LogisticRegression,abl1,recall,0.46, DUD-E,LogisticRegression,abl1,precision,0.7666666666666667, DUD-E,LogisticRegression,abl1,MCC,0.588300590572203, -DUD-E,SimilaritySearch,abl1,AUROC,0.8238837122623928, -DUD-E,SimilaritySearch,abl1,BEDROC,0.37511226905972433, -DUD-E,SimilaritySearch,abl1,Enrichment factor 1%,15.617142857142857, -DUD-E,SimilaritySearch,abl1,Enrichment factor 5%,7.181605839416059, -DUD-E,SimilaritySearch,abl1,RIE,6.282860775381029, -DUD-E,SimilaritySearch,abl1,AUPRC,0.16572815711452427, +DUD-E,SimilaritySearch_Mean,abl1,AUROC,0.8238837122623928, +DUD-E,SimilaritySearch_Mean,abl1,BEDROC,0.37511226905972433, +DUD-E,SimilaritySearch_Mean,abl1,Enrichment factor 1%,15.617142857142857, +DUD-E,SimilaritySearch_Mean,abl1,Enrichment factor 5%,7.181605839416059, +DUD-E,SimilaritySearch_Mean,abl1,RIE,6.282860775381029, +DUD-E,SimilaritySearch_Mean,abl1,AUPRC,0.16572815711452427, +DUD-E,SimilaritySearch_Max,abl1,AUROC,0.9072269847185985, +DUD-E,SimilaritySearch_Max,abl1,BEDROC,0.6708371806961797, +DUD-E,SimilaritySearch_Max,abl1,Enrichment factor 1%,40.995, +DUD-E,SimilaritySearch_Max,abl1,Enrichment factor 5%,13.166277372262773, +DUD-E,SimilaritySearch_Max,abl1,RIE,11.236040359619253, +DUD-E,SimilaritySearch_Max,abl1,AUPRC,0.5494939960485027, +DUD-E,LightGBM_Ranker,abl1,AUROC,0.7738688035780842, +DUD-E,LightGBM_Ranker,abl1,BEDROC,0.4361408761325403, +DUD-E,LightGBM_Ranker,abl1,Enrichment factor 1%,21.473571428571425, +DUD-E,LightGBM_Ranker,abl1,Enrichment factor 5%,8.777518248175182, +DUD-E,LightGBM_Ranker,abl1,RIE,7.305046052011287, +DUD-E,LightGBM_Ranker,abl1,AUPRC,0.20743326513905194, +DUD-E,LightGBM_Ranker,abl1,accuracy,0.5111598975484816, +DUD-E,LightGBM_Ranker,abl1,F1 score,0.05649717514124294, +DUD-E,LightGBM_Ranker,abl1,recall,0.8, +DUD-E,LightGBM_Ranker,abl1,precision,0.029282576866764276, +DUD-E,LightGBM_Ranker,abl1,MCC,0.08195787897506362, DUD-E,RandomForest,ampc,AUROC,0.8187869207088775, DUD-E,RandomForest,ampc,BEDROC,0.5591162363631094, DUD-E,RandomForest,ampc,Enrichment factor 1%,37.26470588235294, @@ -5285,12 +8481,29 @@ DUD-E,LogisticRegression,ampc,F1 score,0.45454545454545453, DUD-E,LogisticRegression,ampc,recall,0.29411764705882354, DUD-E,LogisticRegression,ampc,precision,1.0, DUD-E,LogisticRegression,ampc,MCC,0.537781431928017, -DUD-E,SimilaritySearch,ampc,AUROC,0.6489724602712372, -DUD-E,SimilaritySearch,ampc,BEDROC,0.41178166901527186, -DUD-E,SimilaritySearch,ampc,Enrichment factor 1%,21.294117647058822, -DUD-E,SimilaritySearch,ampc,Enrichment factor 5%,8.057233704292528, -DUD-E,SimilaritySearch,ampc,RIE,6.572115980061041, -DUD-E,SimilaritySearch,ampc,AUPRC,0.2975314589396218, +DUD-E,SimilaritySearch_Mean,ampc,AUROC,0.6489724602712372, +DUD-E,SimilaritySearch_Mean,ampc,BEDROC,0.41178166901527186, +DUD-E,SimilaritySearch_Mean,ampc,Enrichment factor 1%,21.294117647058822, +DUD-E,SimilaritySearch_Mean,ampc,Enrichment factor 5%,8.057233704292528, +DUD-E,SimilaritySearch_Mean,ampc,RIE,6.572115980061041, +DUD-E,SimilaritySearch_Mean,ampc,AUPRC,0.2975314589396218, +DUD-E,SimilaritySearch_Max,ampc,AUROC,0.6733089275314086, +DUD-E,SimilaritySearch_Max,ampc,BEDROC,0.49322382355957933, +DUD-E,SimilaritySearch_Max,ampc,Enrichment factor 1%,31.941176470588236, +DUD-E,SimilaritySearch_Max,ampc,Enrichment factor 5%,9.208267090620032, +DUD-E,SimilaritySearch_Max,ampc,RIE,7.871948685888504, +DUD-E,SimilaritySearch_Max,ampc,AUPRC,0.4000270482197375, +DUD-E,LightGBM_Ranker,ampc,AUROC,0.8444130127298444, +DUD-E,LightGBM_Ranker,ampc,BEDROC,0.47571224545466345, +DUD-E,LightGBM_Ranker,ampc,Enrichment factor 1%,21.294117647058822, +DUD-E,LightGBM_Ranker,ampc,Enrichment factor 5%,9.208267090620032, +DUD-E,LightGBM_Ranker,ampc,RIE,7.592460476388369, +DUD-E,LightGBM_Ranker,ampc,AUPRC,0.36254676926231644, +DUD-E,LightGBM_Ranker,ampc,accuracy,0.5207182320441989, +DUD-E,LightGBM_Ranker,ampc,F1 score,0.08443271767810026, +DUD-E,LightGBM_Ranker,ampc,recall,0.9411764705882353, +DUD-E,LightGBM_Ranker,ampc,precision,0.04419889502762431, +DUD-E,LightGBM_Ranker,ampc,MCC,0.13682236451290072, DUD-E,RandomForest,aofb,AUROC,0.8991836734693878, DUD-E,RandomForest,aofb,BEDROC,0.7019956757635781, DUD-E,RandomForest,aofb,Enrichment factor 1%,36.5625, @@ -5313,12 +8526,29 @@ DUD-E,LogisticRegression,aofb,F1 score,0.4230769230769231, DUD-E,LogisticRegression,aofb,recall,0.275, DUD-E,LogisticRegression,aofb,precision,0.9166666666666666, DUD-E,LogisticRegression,aofb,MCC,0.49697393355175906, -DUD-E,SimilaritySearch,aofb,AUROC,0.7754373177842565, -DUD-E,SimilaritySearch,aofb,BEDROC,0.2778500777109751, -DUD-E,SimilaritySearch,aofb,Enrichment factor 1%,7.3125, -DUD-E,SimilaritySearch,aofb,Enrichment factor 5%,5.484375, -DUD-E,SimilaritySearch,aofb,RIE,4.462822673304537, -DUD-E,SimilaritySearch,aofb,AUPRC,0.10416521226338893, +DUD-E,SimilaritySearch_Mean,aofb,AUROC,0.7754373177842565, +DUD-E,SimilaritySearch_Mean,aofb,BEDROC,0.2778500777109751, +DUD-E,SimilaritySearch_Mean,aofb,Enrichment factor 1%,7.3125, +DUD-E,SimilaritySearch_Mean,aofb,Enrichment factor 5%,5.484375, +DUD-E,SimilaritySearch_Mean,aofb,RIE,4.462822673304537, +DUD-E,SimilaritySearch_Mean,aofb,AUPRC,0.10416521226338893, +DUD-E,SimilaritySearch_Max,aofb,AUROC,0.9008381924198251, +DUD-E,SimilaritySearch_Max,aofb,BEDROC,0.6705811633313397, +DUD-E,SimilaritySearch_Max,aofb,Enrichment factor 1%,34.125, +DUD-E,SimilaritySearch_Max,aofb,Enrichment factor 5%,12.963068181818182, +DUD-E,SimilaritySearch_Max,aofb,RIE,10.770861840854698, +DUD-E,SimilaritySearch_Max,aofb,AUPRC,0.5369105526486163, +DUD-E,LightGBM_Ranker,aofb,AUROC,0.7196355685131195, +DUD-E,LightGBM_Ranker,aofb,BEDROC,0.34260217314497055, +DUD-E,LightGBM_Ranker,aofb,Enrichment factor 1%,19.5, +DUD-E,LightGBM_Ranker,aofb,Enrichment factor 5%,5.982954545454545, +DUD-E,LightGBM_Ranker,aofb,RIE,5.502869588698008, +DUD-E,LightGBM_Ranker,aofb,AUPRC,0.2199781894716478, +DUD-E,LightGBM_Ranker,aofb,accuracy,0.5111111111111111, +DUD-E,LightGBM_Ranker,aofb,F1 score,0.06331877729257641, +DUD-E,LightGBM_Ranker,aofb,recall,0.725, +DUD-E,LightGBM_Ranker,aofb,precision,0.033105022831050226, +DUD-E,LightGBM_Ranker,aofb,MCC,0.0689854811808015, DUD-E,RandomForest,cp3a4,AUROC,0.9163046134348325, DUD-E,RandomForest,cp3a4,BEDROC,0.7023109179039421, DUD-E,RandomForest,cp3a4,Enrichment factor 1%,34.84658634538153, @@ -5341,12 +8571,29 @@ DUD-E,LogisticRegression,cp3a4,F1 score,0.3853211009174312, DUD-E,LogisticRegression,cp3a4,recall,0.25301204819277107, DUD-E,LogisticRegression,cp3a4,precision,0.8076923076923077, DUD-E,LogisticRegression,cp3a4,MCC,0.44465120448614487, -DUD-E,SimilaritySearch,cp3a4,AUROC,0.7542276358786816, -DUD-E,SimilaritySearch,cp3a4,BEDROC,0.2981361546375557, -DUD-E,SimilaritySearch,cp3a4,Enrichment factor 1%,6.008032128514056, -DUD-E,SimilaritySearch,cp3a4,Enrichment factor 5%,5.046746987951807, -DUD-E,SimilaritySearch,cp3a4,RIE,4.576405409739472, -DUD-E,SimilaritySearch,cp3a4,AUPRC,0.11283519698346517, +DUD-E,SimilaritySearch_Mean,cp3a4,AUROC,0.7542276358786816, +DUD-E,SimilaritySearch_Mean,cp3a4,BEDROC,0.2981361546375557, +DUD-E,SimilaritySearch_Mean,cp3a4,Enrichment factor 1%,6.008032128514056, +DUD-E,SimilaritySearch_Mean,cp3a4,Enrichment factor 5%,5.046746987951807, +DUD-E,SimilaritySearch_Mean,cp3a4,RIE,4.576405409739472, +DUD-E,SimilaritySearch_Mean,cp3a4,AUPRC,0.11283519698346517, +DUD-E,SimilaritySearch_Max,cp3a4,AUROC,0.872893430028122, +DUD-E,SimilaritySearch_Max,cp3a4,BEDROC,0.6016861886991448, +DUD-E,SimilaritySearch_Max,cp3a4,Enrichment factor 1%,31.24176706827309, +DUD-E,SimilaritySearch_Max,cp3a4,Enrichment factor 5%,10.333815261044178, +DUD-E,SimilaritySearch_Max,cp3a4,RIE,9.235914092839188, +DUD-E,SimilaritySearch_Max,cp3a4,AUPRC,0.49746052959115666, +DUD-E,LightGBM_Ranker,cp3a4,AUROC,0.8476746449531366, +DUD-E,LightGBM_Ranker,cp3a4,BEDROC,0.4578181092857046, +DUD-E,LightGBM_Ranker,cp3a4,Enrichment factor 1%,19.22570281124498, +DUD-E,LightGBM_Ranker,cp3a4,Enrichment factor 5%,8.411244979919678, +DUD-E,LightGBM_Ranker,cp3a4,RIE,7.027531651637446, +DUD-E,LightGBM_Ranker,cp3a4,AUPRC,0.30645392697607826, +DUD-E,LightGBM_Ranker,cp3a4,accuracy,0.5250668449197861, +DUD-E,LightGBM_Ranker,cp3a4,F1 score,0.10006333122229259, +DUD-E,LightGBM_Ranker,cp3a4,recall,0.9518072289156626, +DUD-E,LightGBM_Ranker,cp3a4,precision,0.052807486631016046, +DUD-E,LightGBM_Ranker,cp3a4,MCC,0.15263367345841447, DUD-E,RandomForest,csf1r,AUROC,0.9467903980982516, DUD-E,RandomForest,csf1r,BEDROC,0.7481609805320009, DUD-E,RandomForest,csf1r,Enrichment factor 1%,50.85601888276947, @@ -5369,12 +8616,29 @@ DUD-E,LogisticRegression,csf1r,F1 score,0.5428571428571428, DUD-E,LogisticRegression,csf1r,recall,0.4634146341463415, DUD-E,LogisticRegression,csf1r,precision,0.6551724137931034, DUD-E,LogisticRegression,csf1r,MCC,0.546021228928817, -DUD-E,SimilaritySearch,csf1r,AUROC,0.8566139563272485, -DUD-E,SimilaritySearch,csf1r,BEDROC,0.3609335358847271, -DUD-E,SimilaritySearch,csf1r,Enrichment factor 1%,16.952006294256492, -DUD-E,SimilaritySearch,csf1r,Enrichment factor 5%,6.824833702882483, -DUD-E,SimilaritySearch,csf1r,RIE,6.337110426304815, -DUD-E,SimilaritySearch,csf1r,AUPRC,0.1331721467300089, +DUD-E,SimilaritySearch_Mean,csf1r,AUROC,0.8566139563272485, +DUD-E,SimilaritySearch_Mean,csf1r,BEDROC,0.3609335358847271, +DUD-E,SimilaritySearch_Mean,csf1r,Enrichment factor 1%,16.952006294256492, +DUD-E,SimilaritySearch_Mean,csf1r,Enrichment factor 5%,6.824833702882483, +DUD-E,SimilaritySearch_Mean,csf1r,RIE,6.337110426304815, +DUD-E,SimilaritySearch_Mean,csf1r,AUPRC,0.1331721467300089, +DUD-E,SimilaritySearch_Max,csf1r,AUROC,0.9195411068368174, +DUD-E,SimilaritySearch_Max,csf1r,BEDROC,0.6008967687398049, +DUD-E,SimilaritySearch_Max,csf1r,Enrichment factor 1%,41.16915814319434, +DUD-E,SimilaritySearch_Max,csf1r,Enrichment factor 5%,11.699714919227114, +DUD-E,SimilaritySearch_Max,csf1r,RIE,10.550278066139972, +DUD-E,SimilaritySearch_Max,csf1r,AUPRC,0.47919892994160607, +DUD-E,LightGBM_Ranker,csf1r,AUROC,0.9207417461069574, +DUD-E,LightGBM_Ranker,csf1r,BEDROC,0.6470010159897289, +DUD-E,LightGBM_Ranker,csf1r,Enrichment factor 1%,38.74744295830055, +DUD-E,LightGBM_Ranker,csf1r,Enrichment factor 5%,13.162179284130502, +DUD-E,LightGBM_Ranker,csf1r,RIE,11.359755919314463, +DUD-E,LightGBM_Ranker,csf1r,AUPRC,0.4631515300087456, +DUD-E,LightGBM_Ranker,csf1r,accuracy,0.5126705653021443, +DUD-E,LightGBM_Ranker,csf1r,F1 score,0.05063291139240506, +DUD-E,LightGBM_Ranker,csf1r,recall,0.975609756097561, +DUD-E,LightGBM_Ranker,csf1r,precision,0.02599090318388564, +DUD-E,LightGBM_Ranker,csf1r,MCC,0.1105223937986675, DUD-E,RandomForest,fabp4,AUROC,0.9619162640901772, DUD-E,RandomForest,fabp4,BEDROC,0.7715621533642703, DUD-E,RandomForest,fabp4,Enrichment factor 1%,66.57142857142857, @@ -5397,12 +8661,29 @@ DUD-E,LogisticRegression,fabp4,F1 score,0.8, DUD-E,LogisticRegression,fabp4,recall,0.6666666666666666, DUD-E,LogisticRegression,fabp4,precision,1.0, DUD-E,LogisticRegression,fabp4,MCC,0.814727355488119, -DUD-E,SimilaritySearch,fabp4,AUROC,0.6647342995169083, -DUD-E,SimilaritySearch,fabp4,BEDROC,0.43949638700052845, -DUD-E,SimilaritySearch,fabp4,Enrichment factor 1%,22.19047619047619, -DUD-E,SimilaritySearch,fabp4,Enrichment factor 5%,8.876190476190477, -DUD-E,SimilaritySearch,fabp4,RIE,7.7493781160621005, -DUD-E,SimilaritySearch,fabp4,AUPRC,0.28110499075495704, +DUD-E,SimilaritySearch_Mean,fabp4,AUROC,0.6647342995169083, +DUD-E,SimilaritySearch_Mean,fabp4,BEDROC,0.43949638700052845, +DUD-E,SimilaritySearch_Mean,fabp4,Enrichment factor 1%,22.19047619047619, +DUD-E,SimilaritySearch_Mean,fabp4,Enrichment factor 5%,8.876190476190477, +DUD-E,SimilaritySearch_Mean,fabp4,RIE,7.7493781160621005, +DUD-E,SimilaritySearch_Mean,fabp4,AUPRC,0.28110499075495704, +DUD-E,SimilaritySearch_Max,fabp4,AUROC,0.8044283413848632, +DUD-E,SimilaritySearch_Max,fabp4,BEDROC,0.6919135327601494, +DUD-E,SimilaritySearch_Max,fabp4,Enrichment factor 1%,66.57142857142857, +DUD-E,SimilaritySearch_Max,fabp4,Enrichment factor 5%,13.314285714285713, +DUD-E,SimilaritySearch_Max,fabp4,RIE,12.2000993312018, +DUD-E,SimilaritySearch_Max,fabp4,AUPRC,0.6577526418965718, +DUD-E,LightGBM_Ranker,fabp4,AUROC,0.9490338164251206, +DUD-E,LightGBM_Ranker,fabp4,BEDROC,0.7009243754479698, +DUD-E,LightGBM_Ranker,fabp4,Enrichment factor 1%,33.285714285714285, +DUD-E,LightGBM_Ranker,fabp4,Enrichment factor 5%,17.752380952380953, +DUD-E,LightGBM_Ranker,fabp4,RIE,12.358982154301149, +DUD-E,LightGBM_Ranker,fabp4,AUPRC,0.44543322276644604, +DUD-E,LightGBM_Ranker,fabp4,accuracy,0.5135908440629471, +DUD-E,LightGBM_Ranker,fabp4,F1 score,0.05027932960893855, +DUD-E,LightGBM_Ranker,fabp4,recall,1.0, +DUD-E,LightGBM_Ranker,fabp4,precision,0.025787965616045846, +DUD-E,LightGBM_Ranker,fabp4,MCC,0.11437155294950413, DUD-E,RandomForest,fak1,AUROC,0.8040432098765433, DUD-E,RandomForest,fak1,BEDROC,0.6051144230999886, DUD-E,RandomForest,fak1,Enrichment factor 1%,48.64285714285714, @@ -5425,12 +8706,29 @@ DUD-E,LogisticRegression,fak1,F1 score,0.35294117647058826, DUD-E,LogisticRegression,fak1,recall,0.25, DUD-E,LogisticRegression,fak1,precision,0.6, DUD-E,LogisticRegression,fak1,MCC,0.3840089418702881, -DUD-E,SimilaritySearch,fak1,AUROC,0.8408641975308642, -DUD-E,SimilaritySearch,fak1,BEDROC,0.34651334647793675, -DUD-E,SimilaritySearch,fak1,Enrichment factor 1%,16.214285714285715, -DUD-E,SimilaritySearch,fak1,Enrichment factor 5%,6.579710144927536, -DUD-E,SimilaritySearch,fak1,RIE,6.354009592384693, -DUD-E,SimilaritySearch,fak1,AUPRC,0.15134699493332934, +DUD-E,SimilaritySearch_Mean,fak1,AUROC,0.8408641975308642, +DUD-E,SimilaritySearch_Mean,fak1,BEDROC,0.34651334647793675, +DUD-E,SimilaritySearch_Mean,fak1,Enrichment factor 1%,16.214285714285715, +DUD-E,SimilaritySearch_Mean,fak1,Enrichment factor 5%,6.579710144927536, +DUD-E,SimilaritySearch_Mean,fak1,RIE,6.354009592384693, +DUD-E,SimilaritySearch_Mean,fak1,AUPRC,0.15134699493332934, +DUD-E,SimilaritySearch_Max,fak1,AUROC,0.8891049382716049, +DUD-E,SimilaritySearch_Max,fak1,BEDROC,0.5500808495471124, +DUD-E,SimilaritySearch_Max,fak1,Enrichment factor 1%,40.535714285714285, +DUD-E,SimilaritySearch_Max,fak1,Enrichment factor 5%,11.514492753623188, +DUD-E,SimilaritySearch_Max,fak1,RIE,10.086823555165944, +DUD-E,SimilaritySearch_Max,fak1,AUPRC,0.369139110158847, +DUD-E,LightGBM_Ranker,fak1,AUROC,0.7770679012345678, +DUD-E,LightGBM_Ranker,fak1,BEDROC,0.34800225705453813, +DUD-E,LightGBM_Ranker,fak1,Enrichment factor 1%,16.214285714285715, +DUD-E,LightGBM_Ranker,fak1,Enrichment factor 5%,8.22463768115942, +DUD-E,LightGBM_Ranker,fak1,RIE,6.381311721191478, +DUD-E,LightGBM_Ranker,fak1,AUPRC,0.13874136577694265, +DUD-E,LightGBM_Ranker,fak1,accuracy,0.5058737151248165, +DUD-E,LightGBM_Ranker,fak1,F1 score,0.02886002886002886, +DUD-E,LightGBM_Ranker,fak1,recall,0.8333333333333334, +DUD-E,LightGBM_Ranker,fak1,precision,0.014684287812041116, +DUD-E,LightGBM_Ranker,fak1,MCC,0.0628539361054709, DUD-E,RandomForest,gria2,AUROC,0.9987093066742071, DUD-E,RandomForest,gria2,BEDROC,0.9797049446516922, DUD-E,RandomForest,gria2,Enrichment factor 1%,78.37837837837837, @@ -5453,12 +8751,29 @@ DUD-E,LogisticRegression,gria2,F1 score,0.8405797101449275, DUD-E,LogisticRegression,gria2,recall,0.7837837837837838, DUD-E,LogisticRegression,gria2,precision,0.90625, DUD-E,LogisticRegression,gria2,MCC,0.8409973791403287, -DUD-E,SimilaritySearch,gria2,AUROC,0.7345550072515985, -DUD-E,SimilaritySearch,gria2,BEDROC,0.38232517188444204, -DUD-E,SimilaritySearch,gria2,Enrichment factor 1%,24.324324324324323, -DUD-E,SimilaritySearch,gria2,Enrichment factor 5%,7.5675675675675675, -DUD-E,SimilaritySearch,gria2,RIE,6.776420755330673, -DUD-E,SimilaritySearch,gria2,AUPRC,0.21784743080161106, +DUD-E,SimilaritySearch_Mean,gria2,AUROC,0.7345550072515985, +DUD-E,SimilaritySearch_Mean,gria2,BEDROC,0.38232517188444204, +DUD-E,SimilaritySearch_Mean,gria2,Enrichment factor 1%,24.324324324324323, +DUD-E,SimilaritySearch_Mean,gria2,Enrichment factor 5%,7.5675675675675675, +DUD-E,SimilaritySearch_Mean,gria2,RIE,6.776420755330673, +DUD-E,SimilaritySearch_Mean,gria2,AUPRC,0.21784743080161106, +DUD-E,SimilaritySearch_Max,gria2,AUROC,0.9300745227171148, +DUD-E,SimilaritySearch_Max,gria2,BEDROC,0.7681124733457944, +DUD-E,SimilaritySearch_Max,gria2,Enrichment factor 1%,62.16216216216216, +DUD-E,SimilaritySearch_Max,gria2,Enrichment factor 5%,15.135135135135135, +DUD-E,SimilaritySearch_Max,gria2,RIE,13.614205057744853, +DUD-E,SimilaritySearch_Max,gria2,AUPRC,0.6925278571800116, +DUD-E,LightGBM_Ranker,gria2,AUROC,0.9746786948946923, +DUD-E,LightGBM_Ranker,gria2,BEDROC,0.8911597155892133, +DUD-E,LightGBM_Ranker,gria2,Enrichment factor 1%,70.27027027027027, +DUD-E,LightGBM_Ranker,gria2,Enrichment factor 5%,17.2972972972973, +DUD-E,LightGBM_Ranker,gria2,RIE,15.795123139496933, +DUD-E,LightGBM_Ranker,gria2,AUPRC,0.805970539281316, +DUD-E,LightGBM_Ranker,gria2,accuracy,0.5116666666666667, +DUD-E,LightGBM_Ranker,gria2,F1 score,0.0468445022771633, +DUD-E,LightGBM_Ranker,gria2,recall,0.972972972972973, +DUD-E,LightGBM_Ranker,gria2,precision,0.024, +DUD-E,LightGBM_Ranker,gria2,MCC,0.10570641803316068, DUD-E,RandomForest,hivint,AUROC,0.9704933814681106, DUD-E,RandomForest,hivint,BEDROC,0.9353274377434838, DUD-E,RandomForest,hivint,Enrichment factor 1%,63.510588235294115, @@ -5481,12 +8796,29 @@ DUD-E,LogisticRegression,hivint,F1 score,0.7916666666666666, DUD-E,LogisticRegression,hivint,recall,0.76, DUD-E,LogisticRegression,hivint,precision,0.8260869565217391, DUD-E,LogisticRegression,hivint,MCC,0.7893707651660278, -DUD-E,SimilaritySearch,hivint,AUROC,0.8129963898916969, -DUD-E,SimilaritySearch,hivint,BEDROC,0.3904561759842118, -DUD-E,SimilaritySearch,hivint,Enrichment factor 1%,19.847058823529412, -DUD-E,SimilaritySearch,hivint,Enrichment factor 5%,6.351058823529412, -DUD-E,SimilaritySearch,hivint,RIE,6.758210618836635, -DUD-E,SimilaritySearch,hivint,AUPRC,0.25376252583918707, +DUD-E,SimilaritySearch_Mean,hivint,AUROC,0.8129963898916969, +DUD-E,SimilaritySearch_Mean,hivint,BEDROC,0.3904561759842118, +DUD-E,SimilaritySearch_Mean,hivint,Enrichment factor 1%,19.847058823529412, +DUD-E,SimilaritySearch_Mean,hivint,Enrichment factor 5%,6.351058823529412, +DUD-E,SimilaritySearch_Mean,hivint,RIE,6.758210618836635, +DUD-E,SimilaritySearch_Mean,hivint,AUPRC,0.25376252583918707, +DUD-E,SimilaritySearch_Max,hivint,AUROC,0.8695908543922986, +DUD-E,SimilaritySearch_Max,hivint,BEDROC,0.7661549060672237, +DUD-E,SimilaritySearch_Max,hivint,Enrichment factor 1%,63.510588235294115, +DUD-E,SimilaritySearch_Max,hivint,Enrichment factor 5%,15.083764705882354, +DUD-E,SimilaritySearch_Max,hivint,RIE,13.260991943022809, +DUD-E,SimilaritySearch_Max,hivint,AUPRC,0.7154683236562969, +DUD-E,LightGBM_Ranker,hivint,AUROC,0.7072442839951865, +DUD-E,LightGBM_Ranker,hivint,BEDROC,0.4227748456051667, +DUD-E,LightGBM_Ranker,hivint,Enrichment factor 1%,15.877647058823529, +DUD-E,LightGBM_Ranker,hivint,Enrichment factor 5%,8.73270588235294, +DUD-E,LightGBM_Ranker,hivint,RIE,7.317598299458427, +DUD-E,LightGBM_Ranker,hivint,AUPRC,0.24526106103022383, +DUD-E,LightGBM_Ranker,hivint,accuracy,0.5080023710729105, +DUD-E,LightGBM_Ranker,hivint,F1 score,0.04377880184331797, +DUD-E,LightGBM_Ranker,hivint,recall,0.76, +DUD-E,LightGBM_Ranker,hivint,precision,0.022538552787663108, +DUD-E,LightGBM_Ranker,hivint,MCC,0.0638487944705589, DUD-E,RandomForest,jak2,AUROC,0.8723887064404305, DUD-E,RandomForest,jak2,BEDROC,0.7358007316956033, DUD-E,RandomForest,jak2,Enrichment factor 1%,43.16339869281046, @@ -5509,12 +8841,29 @@ DUD-E,LogisticRegression,jak2,F1 score,0.3684210526315789, DUD-E,LogisticRegression,jak2,recall,0.25925925925925924, DUD-E,LogisticRegression,jak2,precision,0.6363636363636364, DUD-E,LogisticRegression,jak2,MCC,0.40035497477436005, -DUD-E,SimilaritySearch,jak2,AUROC,0.8318965517241379, -DUD-E,SimilaritySearch,jak2,BEDROC,0.3700654636012028, -DUD-E,SimilaritySearch,jak2,Enrichment factor 1%,17.98474945533769, -DUD-E,SimilaritySearch,jak2,Enrichment factor 5%,5.893797411869701, -DUD-E,SimilaritySearch,jak2,RIE,6.31276079870131, -DUD-E,SimilaritySearch,jak2,AUPRC,0.15819781159862367, +DUD-E,SimilaritySearch_Mean,jak2,AUROC,0.8318965517241379, +DUD-E,SimilaritySearch_Mean,jak2,BEDROC,0.3700654636012028, +DUD-E,SimilaritySearch_Mean,jak2,Enrichment factor 1%,17.98474945533769, +DUD-E,SimilaritySearch_Mean,jak2,Enrichment factor 5%,5.893797411869701, +DUD-E,SimilaritySearch_Mean,jak2,RIE,6.31276079870131, +DUD-E,SimilaritySearch_Mean,jak2,AUPRC,0.15819781159862367, +DUD-E,SimilaritySearch_Max,jak2,AUROC,0.8943623426382048, +DUD-E,SimilaritySearch_Max,jak2,BEDROC,0.6192308645301207, +DUD-E,SimilaritySearch_Max,jak2,Enrichment factor 1%,39.566448801742915, +DUD-E,SimilaritySearch_Max,jak2,Enrichment factor 5%,11.05087014725569, +DUD-E,SimilaritySearch_Max,jak2,RIE,10.563148143469995, +DUD-E,SimilaritySearch_Max,jak2,AUPRC,0.4655156998630779, +DUD-E,LightGBM_Ranker,jak2,AUROC,0.8358762087210362, +DUD-E,LightGBM_Ranker,jak2,BEDROC,0.42341010515249256, +DUD-E,LightGBM_Ranker,jak2,Enrichment factor 1%,21.58169934640523, +DUD-E,LightGBM_Ranker,jak2,Enrichment factor 5%,8.103971441320839, +DUD-E,LightGBM_Ranker,jak2,RIE,7.222740228090494, +DUD-E,LightGBM_Ranker,jak2,AUPRC,0.24752662491837574, +DUD-E,LightGBM_Ranker,jak2,accuracy,0.5130224106602059, +DUD-E,LightGBM_Ranker,jak2,F1 score,0.056338028169014086, +DUD-E,LightGBM_Ranker,jak2,recall,0.8888888888888888, +DUD-E,LightGBM_Ranker,jak2,precision,0.02909090909090909, +DUD-E,LightGBM_Ranker,jak2,MCC,0.1003650613847351, DUD-E,RandomForest,kit,AUROC,0.948988603988604, DUD-E,RandomForest,kit,BEDROC,0.7770632518172019, DUD-E,RandomForest,kit,Enrichment factor 1%,45.50754458161865, @@ -5537,12 +8886,29 @@ DUD-E,LogisticRegression,kit,F1 score,0.28125, DUD-E,LogisticRegression,kit,recall,0.16666666666666666, DUD-E,LogisticRegression,kit,precision,0.9, DUD-E,LogisticRegression,kit,MCC,0.3831759138888068, -DUD-E,SimilaritySearch,kit,AUROC,0.8664601139601139, -DUD-E,SimilaritySearch,kit,BEDROC,0.40328763164382175, -DUD-E,SimilaritySearch,kit,Enrichment factor 1%,16.382716049382715, -DUD-E,SimilaritySearch,kit,Enrichment factor 5%,7.021164021164021, -DUD-E,SimilaritySearch,kit,RIE,6.626328232716068, -DUD-E,SimilaritySearch,kit,AUPRC,0.239004840109128, +DUD-E,SimilaritySearch_Mean,kit,AUROC,0.8664601139601139, +DUD-E,SimilaritySearch_Mean,kit,BEDROC,0.40328763164382175, +DUD-E,SimilaritySearch_Mean,kit,Enrichment factor 1%,16.382716049382715, +DUD-E,SimilaritySearch_Mean,kit,Enrichment factor 5%,7.021164021164021, +DUD-E,SimilaritySearch_Mean,kit,RIE,6.626328232716068, +DUD-E,SimilaritySearch_Mean,kit,AUPRC,0.239004840109128, +DUD-E,SimilaritySearch_Max,kit,AUROC,0.915352564102564, +DUD-E,SimilaritySearch_Max,kit,BEDROC,0.6153930792832266, +DUD-E,SimilaritySearch_Max,kit,Enrichment factor 1%,38.22633744855967, +DUD-E,SimilaritySearch_Max,kit,Enrichment factor 5%,11.82511835143414, +DUD-E,SimilaritySearch_Max,kit,RIE,10.111385038168724, +DUD-E,SimilaritySearch_Max,kit,AUPRC,0.49016574367073273, +DUD-E,LightGBM_Ranker,kit,AUROC,0.8692129629629629, +DUD-E,LightGBM_Ranker,kit,BEDROC,0.4652417923350185, +DUD-E,LightGBM_Ranker,kit,Enrichment factor 1%,20.02331961591221, +DUD-E,LightGBM_Ranker,kit,Enrichment factor 5%,8.868838763575607, +DUD-E,LightGBM_Ranker,kit,RIE,7.644283083692042, +DUD-E,LightGBM_Ranker,kit,AUPRC,0.29291677784447323, +DUD-E,LightGBM_Ranker,kit,accuracy,0.5180859080633007, +DUD-E,LightGBM_Ranker,kit,F1 score,0.07385952208544533, +DUD-E,LightGBM_Ranker,kit,recall,0.9444444444444444, +DUD-E,LightGBM_Ranker,kit,precision,0.03843255463451394, +DUD-E,LightGBM_Ranker,kit,MCC,0.12810252304406972, DUD-E,RandomForest,kpcb,AUROC,0.9043925826693929, DUD-E,RandomForest,kpcb,BEDROC,0.7760104773772171, DUD-E,RandomForest,kpcb,Enrichment factor 1%,62.76923076923077, @@ -5565,12 +8931,29 @@ DUD-E,LogisticRegression,kpcb,F1 score,0.6153846153846154, DUD-E,LogisticRegression,kpcb,recall,0.46153846153846156, DUD-E,LogisticRegression,kpcb,precision,0.9230769230769231, DUD-E,LogisticRegression,kpcb,MCC,0.6501320104951777, -DUD-E,SimilaritySearch,kpcb,AUROC,0.646918846506381, -DUD-E,SimilaritySearch,kpcb,BEDROC,0.4338128182533984, -DUD-E,SimilaritySearch,kpcb,Enrichment factor 1%,29.53846153846154, -DUD-E,SimilaritySearch,kpcb,Enrichment factor 5%,8.415800415800415, -DUD-E,SimilaritySearch,kpcb,RIE,7.730290496844337, -DUD-E,SimilaritySearch,kpcb,AUPRC,0.3251351998991627, +DUD-E,SimilaritySearch_Mean,kpcb,AUROC,0.646918846506381, +DUD-E,SimilaritySearch_Mean,kpcb,BEDROC,0.4338128182533984, +DUD-E,SimilaritySearch_Mean,kpcb,Enrichment factor 1%,29.53846153846154, +DUD-E,SimilaritySearch_Mean,kpcb,Enrichment factor 5%,8.415800415800415, +DUD-E,SimilaritySearch_Mean,kpcb,RIE,7.730290496844337, +DUD-E,SimilaritySearch_Mean,kpcb,AUPRC,0.3251351998991627, +DUD-E,SimilaritySearch_Max,kpcb,AUROC,0.8450081082986673, +DUD-E,SimilaritySearch_Max,kpcb,BEDROC,0.64447783261363, +DUD-E,SimilaritySearch_Max,kpcb,Enrichment factor 1%,48.0, +DUD-E,SimilaritySearch_Max,kpcb,Enrichment factor 5%,12.24116424116424, +DUD-E,SimilaritySearch_Max,kpcb,RIE,11.484217721242622, +DUD-E,SimilaritySearch_Max,kpcb,AUPRC,0.5432479657213205, +DUD-E,LightGBM_Ranker,kpcb,AUROC,0.7616248325460058, +DUD-E,LightGBM_Ranker,kpcb,BEDROC,0.4337276418271162, +DUD-E,LightGBM_Ranker,kpcb,Enrichment factor 1%,33.23076923076923, +DUD-E,LightGBM_Ranker,kpcb,Enrichment factor 5%,7.65072765072765, +DUD-E,LightGBM_Ranker,kpcb,RIE,7.728772702793585, +DUD-E,LightGBM_Ranker,kpcb,AUPRC,0.3491108675002327, +DUD-E,LightGBM_Ranker,kpcb,accuracy,0.5081521739130435, +DUD-E,LightGBM_Ranker,kpcb,F1 score,0.03893805309734513, +DUD-E,LightGBM_Ranker,kpcb,recall,0.8461538461538461, +DUD-E,LightGBM_Ranker,kpcb,precision,0.019927536231884056, +DUD-E,LightGBM_Ranker,kpcb,MCC,0.075571572298452, DUD-E,RandomForest,lck,AUROC,0.9448280844513496, DUD-E,RandomForest,lck,BEDROC,0.8199161992761095, DUD-E,RandomForest,lck,Enrichment factor 1%,60.39355742296919, @@ -5593,12 +8976,29 @@ DUD-E,LogisticRegression,lck,F1 score,0.6666666666666666, DUD-E,LogisticRegression,lck,recall,0.5686274509803921, DUD-E,LogisticRegression,lck,precision,0.8055555555555556, DUD-E,LogisticRegression,lck,MCC,0.6728992535875349, -DUD-E,SimilaritySearch,lck,AUROC,0.8200029756539999, -DUD-E,SimilaritySearch,lck,BEDROC,0.4418352372112161, -DUD-E,SimilaritySearch,lck,Enrichment factor 1%,17.53361344537815, -DUD-E,SimilaritySearch,lck,Enrichment factor 5%,9.013128239801668, -DUD-E,SimilaritySearch,lck,RIE,7.658675939997172, -DUD-E,SimilaritySearch,lck,AUPRC,0.17973423211700473, +DUD-E,SimilaritySearch_Mean,lck,AUROC,0.8200029756539999, +DUD-E,SimilaritySearch_Mean,lck,BEDROC,0.4418352372112161, +DUD-E,SimilaritySearch_Mean,lck,Enrichment factor 1%,17.53361344537815, +DUD-E,SimilaritySearch_Mean,lck,Enrichment factor 5%,9.013128239801668, +DUD-E,SimilaritySearch_Mean,lck,RIE,7.658675939997172, +DUD-E,SimilaritySearch_Mean,lck,AUPRC,0.17973423211700473, +DUD-E,SimilaritySearch_Max,lck,AUROC,0.9013356108531256, +DUD-E,SimilaritySearch_Max,lck,BEDROC,0.7074790326022947, +DUD-E,SimilaritySearch_Max,lck,Enrichment factor 1%,49.67857142857142, +DUD-E,SimilaritySearch_Max,lck,Enrichment factor 5%,14.303442641424386, +DUD-E,SimilaritySearch_Max,lck,RIE,12.263287705429383, +DUD-E,SimilaritySearch_Max,lck,AUPRC,0.5956060171761748, +DUD-E,LightGBM_Ranker,lck,AUROC,0.8940452585528593, +DUD-E,LightGBM_Ranker,lck,BEDROC,0.6768715080643135, +DUD-E,LightGBM_Ranker,lck,Enrichment factor 1%,42.85994397759103, +DUD-E,LightGBM_Ranker,lck,Enrichment factor 5%,13.323754789272032, +DUD-E,LightGBM_Ranker,lck,RIE,11.732743532956395, +DUD-E,LightGBM_Ranker,lck,AUPRC,0.515916361635912, +DUD-E,LightGBM_Ranker,lck,accuracy,0.511861969805895, +DUD-E,LightGBM_Ranker,lck,F1 score,0.05141100866163733, +DUD-E,LightGBM_Ranker,lck,recall,0.9019607843137255, +DUD-E,LightGBM_Ranker,lck,precision,0.02645959160195571, +DUD-E,LightGBM_Ranker,lck,MCC,0.09809594871884426, DUD-E,RandomForest,mk01,AUROC,0.9816821465428277, DUD-E,RandomForest,mk01,BEDROC,0.8068566110903465, DUD-E,RandomForest,mk01,Enrichment factor 1%,56.7156862745098, @@ -5621,12 +9021,29 @@ DUD-E,LogisticRegression,mk01,F1 score,0.5217391304347826, DUD-E,LogisticRegression,mk01,recall,0.35294117647058826, DUD-E,LogisticRegression,mk01,precision,1.0, DUD-E,LogisticRegression,mk01,MCC,0.5912428861791089, -DUD-E,SimilaritySearch,mk01,AUROC,0.853250773993808, -DUD-E,SimilaritySearch,mk01,BEDROC,0.4315512507035206, -DUD-E,SimilaritySearch,mk01,Enrichment factor 1%,22.686274509803923, -DUD-E,SimilaritySearch,mk01,Enrichment factor 5%,8.213995943204868, -DUD-E,SimilaritySearch,mk01,RIE,7.478461779541662, -DUD-E,SimilaritySearch,mk01,AUPRC,0.2682285848687098, +DUD-E,SimilaritySearch_Mean,mk01,AUROC,0.853250773993808, +DUD-E,SimilaritySearch_Mean,mk01,BEDROC,0.4315512507035206, +DUD-E,SimilaritySearch_Mean,mk01,Enrichment factor 1%,22.686274509803923, +DUD-E,SimilaritySearch_Mean,mk01,Enrichment factor 5%,8.213995943204868, +DUD-E,SimilaritySearch_Mean,mk01,RIE,7.478461779541662, +DUD-E,SimilaritySearch_Mean,mk01,AUPRC,0.2682285848687098, +DUD-E,SimilaritySearch_Max,mk01,AUROC,0.9435500515995873, +DUD-E,SimilaritySearch_Max,mk01,BEDROC,0.7990431139818607, +DUD-E,SimilaritySearch_Max,mk01,Enrichment factor 1%,56.7156862745098, +DUD-E,SimilaritySearch_Max,mk01,Enrichment factor 5%,16.427991886409735, +DUD-E,SimilaritySearch_Max,mk01,RIE,13.846822042034859, +DUD-E,SimilaritySearch_Max,mk01,AUPRC,0.6953830245081383, +DUD-E,LightGBM_Ranker,mk01,AUROC,0.8041537667698658, +DUD-E,LightGBM_Ranker,mk01,BEDROC,0.33298179771035563, +DUD-E,LightGBM_Ranker,mk01,Enrichment factor 1%,17.014705882352942, +DUD-E,LightGBM_Ranker,mk01,Enrichment factor 5%,5.867139959432048, +DUD-E,LightGBM_Ranker,mk01,RIE,5.770326579111605, +DUD-E,LightGBM_Ranker,mk01,AUPRC,0.19434006905391638, +DUD-E,LightGBM_Ranker,mk01,accuracy,0.5133967156439067, +DUD-E,LightGBM_Ranker,mk01,F1 score,0.050590219224283306, +DUD-E,LightGBM_Ranker,mk01,recall,0.8823529411764706, +DUD-E,LightGBM_Ranker,mk01,precision,0.026041666666666668, +DUD-E,LightGBM_Ranker,mk01,MCC,0.09391131160555624, DUD-E,RandomForest,mk10,AUROC,0.9337173053527981, DUD-E,RandomForest,mk10,BEDROC,0.6366348252059342, DUD-E,RandomForest,mk10,Enrichment factor 1%,40.0514705882353, @@ -5649,12 +9066,29 @@ DUD-E,LogisticRegression,mk10,F1 score,0.48148148148148145, DUD-E,LogisticRegression,mk10,recall,0.40625, DUD-E,LogisticRegression,mk10,precision,0.5909090909090909, DUD-E,LogisticRegression,mk10,MCC,0.4818901161550437, -DUD-E,SimilaritySearch,mk10,AUROC,0.8154653284671532, -DUD-E,SimilaritySearch,mk10,BEDROC,0.42296841412074854, -DUD-E,SimilaritySearch,mk10,Enrichment factor 1%,21.566176470588236, -DUD-E,SimilaritySearch,mk10,Enrichment factor 5%,8.105654761904763, -DUD-E,SimilaritySearch,mk10,RIE,7.031584793320458, -DUD-E,SimilaritySearch,mk10,AUPRC,0.20734306254228208, +DUD-E,SimilaritySearch_Mean,mk10,AUROC,0.8154653284671532, +DUD-E,SimilaritySearch_Mean,mk10,BEDROC,0.42296841412074854, +DUD-E,SimilaritySearch_Mean,mk10,Enrichment factor 1%,21.566176470588236, +DUD-E,SimilaritySearch_Mean,mk10,Enrichment factor 5%,8.105654761904763, +DUD-E,SimilaritySearch_Mean,mk10,RIE,7.031584793320458, +DUD-E,SimilaritySearch_Mean,mk10,AUPRC,0.20734306254228208, +DUD-E,SimilaritySearch_Max,mk10,AUROC,0.8982854318734792, +DUD-E,SimilaritySearch_Max,mk10,BEDROC,0.6089521351231479, +DUD-E,SimilaritySearch_Max,mk10,Enrichment factor 1%,40.0514705882353, +DUD-E,SimilaritySearch_Max,mk10,Enrichment factor 5%,11.223214285714286, +DUD-E,SimilaritySearch_Max,mk10,RIE,10.123447569381252, +DUD-E,SimilaritySearch_Max,mk10,AUPRC,0.5047877404437349, +DUD-E,LightGBM_Ranker,mk10,AUROC,0.7451528284671534, +DUD-E,LightGBM_Ranker,mk10,BEDROC,0.4148180036227677, +DUD-E,LightGBM_Ranker,mk10,Enrichment factor 1%,18.485294117647058, +DUD-E,LightGBM_Ranker,mk10,Enrichment factor 5%,8.105654761904763, +DUD-E,LightGBM_Ranker,mk10,RIE,6.896089327951223, +DUD-E,LightGBM_Ranker,mk10,AUPRC,0.2521298673567877, +DUD-E,LightGBM_Ranker,mk10,accuracy,0.5107398568019093, +DUD-E,LightGBM_Ranker,mk10,F1 score,0.05747126436781609, +DUD-E,LightGBM_Ranker,mk10,recall,0.78125, +DUD-E,LightGBM_Ranker,mk10,precision,0.029832935560859187, +DUD-E,LightGBM_Ranker,mk10,MCC,0.07847776197170503, DUD-E,RandomForest,mp2k1,AUROC,0.9018315377081293, DUD-E,RandomForest,mp2k1,BEDROC,0.6487630240452661, DUD-E,RandomForest,mp2k1,Enrichment factor 1%,47.245714285714286, @@ -5677,12 +9111,29 @@ DUD-E,LogisticRegression,mp2k1,F1 score,0.5263157894736842, DUD-E,LogisticRegression,mp2k1,recall,0.4, DUD-E,LogisticRegression,mp2k1,precision,0.7692307692307693, DUD-E,LogisticRegression,mp2k1,MCC,0.5510460900435287, -DUD-E,SimilaritySearch,mp2k1,AUROC,0.6155729676787464, -DUD-E,SimilaritySearch,mp2k1,BEDROC,0.19494866524647297, -DUD-E,SimilaritySearch,mp2k1,Enrichment factor 1%,7.8742857142857146, -DUD-E,SimilaritySearch,mp2k1,Enrichment factor 5%,3.975, -DUD-E,SimilaritySearch,mp2k1,RIE,3.463230879460718, -DUD-E,SimilaritySearch,mp2k1,AUPRC,0.07190168533445003, +DUD-E,SimilaritySearch_Mean,mp2k1,AUROC,0.6155729676787464, +DUD-E,SimilaritySearch_Mean,mp2k1,BEDROC,0.19494866524647297, +DUD-E,SimilaritySearch_Mean,mp2k1,Enrichment factor 1%,7.8742857142857146, +DUD-E,SimilaritySearch_Mean,mp2k1,Enrichment factor 5%,3.975, +DUD-E,SimilaritySearch_Mean,mp2k1,RIE,3.463230879460718, +DUD-E,SimilaritySearch_Mean,mp2k1,AUPRC,0.07190168533445003, +DUD-E,SimilaritySearch_Max,mp2k1,AUROC,0.850617042115573, +DUD-E,SimilaritySearch_Max,mp2k1,BEDROC,0.6587616931724228, +DUD-E,SimilaritySearch_Max,mp2k1,Enrichment factor 1%,59.05714285714285, +DUD-E,SimilaritySearch_Max,mp2k1,Enrichment factor 5%,12.72, +DUD-E,SimilaritySearch_Max,mp2k1,RIE,11.702792699224325, +DUD-E,SimilaritySearch_Max,mp2k1,AUPRC,0.6092572957039086, +DUD-E,LightGBM_Ranker,mp2k1,AUROC,0.6703428011753182, +DUD-E,LightGBM_Ranker,mp2k1,BEDROC,0.2837103541910758, +DUD-E,LightGBM_Ranker,mp2k1,Enrichment factor 1%,15.748571428571429, +DUD-E,LightGBM_Ranker,mp2k1,Enrichment factor 5%,6.36, +DUD-E,LightGBM_Ranker,mp2k1,RIE,5.04006762023991, +DUD-E,LightGBM_Ranker,mp2k1,AUPRC,0.12022836583917665, +DUD-E,LightGBM_Ranker,mp2k1,accuracy,0.5065312046444121, +DUD-E,LightGBM_Ranker,mp2k1,F1 score,0.035916824196597356, +DUD-E,LightGBM_Ranker,mp2k1,recall,0.76, +DUD-E,LightGBM_Ranker,mp2k1,precision,0.018393030009680542, +DUD-E,LightGBM_Ranker,mp2k1,MCC,0.057590307454341974, DUD-E,RandomForest,pa2ga,AUROC,0.8317191283292977, DUD-E,RandomForest,pa2ga,BEDROC,0.6738655004203585, DUD-E,RandomForest,pa2ga,Enrichment factor 1%,60.244897959183675, @@ -5705,12 +9156,29 @@ DUD-E,LogisticRegression,pa2ga,F1 score,0.782608695652174, DUD-E,LogisticRegression,pa2ga,recall,0.6428571428571429, DUD-E,LogisticRegression,pa2ga,precision,1.0, DUD-E,LogisticRegression,pa2ga,MCC,0.8002439053690159, -DUD-E,SimilaritySearch,pa2ga,AUROC,0.5873871890821043, -DUD-E,SimilaritySearch,pa2ga,BEDROC,0.4815752323323777, -DUD-E,SimilaritySearch,pa2ga,Enrichment factor 1%,33.46938775510204, -DUD-E,SimilaritySearch,pa2ga,Enrichment factor 5%,9.93939393939394, -DUD-E,SimilaritySearch,pa2ga,RIE,8.673125044312815, -DUD-E,SimilaritySearch,pa2ga,AUPRC,0.39725148778253083, +DUD-E,SimilaritySearch_Mean,pa2ga,AUROC,0.5873871890821043, +DUD-E,SimilaritySearch_Mean,pa2ga,BEDROC,0.4815752323323777, +DUD-E,SimilaritySearch_Mean,pa2ga,Enrichment factor 1%,33.46938775510204, +DUD-E,SimilaritySearch_Mean,pa2ga,Enrichment factor 5%,9.93939393939394, +DUD-E,SimilaritySearch_Mean,pa2ga,RIE,8.673125044312815, +DUD-E,SimilaritySearch_Mean,pa2ga,AUPRC,0.39725148778253083, +DUD-E,SimilaritySearch_Max,pa2ga,AUROC,0.7224301122606208, +DUD-E,SimilaritySearch_Max,pa2ga,BEDROC,0.6844911541116925, +DUD-E,SimilaritySearch_Max,pa2ga,Enrichment factor 1%,60.244897959183675, +DUD-E,SimilaritySearch_Max,pa2ga,Enrichment factor 5%,12.779220779220779, +DUD-E,SimilaritySearch_Max,pa2ga,RIE,12.32762186140594, +DUD-E,SimilaritySearch_Max,pa2ga,AUPRC,0.6528519387247713, +DUD-E,LightGBM_Ranker,pa2ga,AUROC,0.6736737838432753, +DUD-E,LightGBM_Ranker,pa2ga,BEDROC,0.4605642799844008, +DUD-E,LightGBM_Ranker,pa2ga,Enrichment factor 1%,40.163265306122454, +DUD-E,LightGBM_Ranker,pa2ga,Enrichment factor 5%,8.519480519480519, +DUD-E,LightGBM_Ranker,pa2ga,RIE,8.294719753064722, +DUD-E,LightGBM_Ranker,pa2ga,AUPRC,0.41617077841658456, +DUD-E,LightGBM_Ranker,pa2ga,accuracy,0.5030487804878049, +DUD-E,LightGBM_Ranker,pa2ga,F1 score,0.026865671641791045, +DUD-E,LightGBM_Ranker,pa2ga,recall,0.6428571428571429, +DUD-E,LightGBM_Ranker,pa2ga,precision,0.013719512195121951, +DUD-E,LightGBM_Ranker,pa2ga,MCC,0.029672806688054353, DUD-E,RandomForest,plk1,AUROC,0.9042033235581621, DUD-E,RandomForest,plk1,BEDROC,0.7625770592564916, DUD-E,RandomForest,plk1,Enrichment factor 1%,59.35978835978837, @@ -5733,12 +9201,29 @@ DUD-E,LogisticRegression,plk1,F1 score,0.4, DUD-E,LogisticRegression,plk1,recall,0.3333333333333333, DUD-E,LogisticRegression,plk1,precision,0.5, DUD-E,LogisticRegression,plk1,MCC,0.40239482805653753, -DUD-E,SimilaritySearch,plk1,AUROC,0.8043290043290043, -DUD-E,SimilaritySearch,plk1,BEDROC,0.32696661575560465, -DUD-E,SimilaritySearch,plk1,Enrichment factor 1%,9.132275132275131, -DUD-E,SimilaritySearch,plk1,Enrichment factor 5%,7.557744937055283, -DUD-E,SimilaritySearch,plk1,RIE,5.8044941386325375, -DUD-E,SimilaritySearch,plk1,AUPRC,0.12852650406054983, +DUD-E,SimilaritySearch_Mean,plk1,AUROC,0.8043290043290043, +DUD-E,SimilaritySearch_Mean,plk1,BEDROC,0.32696661575560465, +DUD-E,SimilaritySearch_Mean,plk1,Enrichment factor 1%,9.132275132275131, +DUD-E,SimilaritySearch_Mean,plk1,Enrichment factor 5%,7.557744937055283, +DUD-E,SimilaritySearch_Mean,plk1,RIE,5.8044941386325375, +DUD-E,SimilaritySearch_Mean,plk1,AUPRC,0.12852650406054983, +DUD-E,SimilaritySearch_Max,plk1,AUROC,0.8917469627147047, +DUD-E,SimilaritySearch_Max,plk1,BEDROC,0.7339756431160058, +DUD-E,SimilaritySearch_Max,plk1,Enrichment factor 1%,59.35978835978837, +DUD-E,SimilaritySearch_Max,plk1,Enrichment factor 5%,14.170771756978654, +DUD-E,SimilaritySearch_Max,plk1,RIE,13.029945854027675, +DUD-E,SimilaritySearch_Max,plk1,AUPRC,0.6775536943622542, +DUD-E,LightGBM_Ranker,plk1,AUROC,0.7548387096774194, +DUD-E,LightGBM_Ranker,plk1,BEDROC,0.26401508721803274, +DUD-E,LightGBM_Ranker,plk1,Enrichment factor 1%,13.6984126984127, +DUD-E,LightGBM_Ranker,plk1,Enrichment factor 5%,5.668308702791461, +DUD-E,LightGBM_Ranker,plk1,RIE,4.68694342284515, +DUD-E,LightGBM_Ranker,plk1,AUPRC,0.146253204451559, +DUD-E,LightGBM_Ranker,plk1,accuracy,0.507531865585168, +DUD-E,LightGBM_Ranker,plk1,F1 score,0.038461538461538464, +DUD-E,LightGBM_Ranker,plk1,recall,0.8095238095238095, +DUD-E,LightGBM_Ranker,plk1,precision,0.019698725376593278, +DUD-E,LightGBM_Ranker,plk1,MCC,0.06870233745386015, DUD-E,RandomForest,ptn1,AUROC,0.9741368109916523, DUD-E,RandomForest,ptn1,BEDROC,0.8164414542135614, DUD-E,RandomForest,ptn1,Enrichment factor 1%,51.408668730650156, @@ -5761,12 +9246,29 @@ DUD-E,LogisticRegression,ptn1,F1 score,0.7368421052631579, DUD-E,LogisticRegression,ptn1,recall,0.6176470588235294, DUD-E,LogisticRegression,ptn1,precision,0.9130434782608695, DUD-E,LogisticRegression,ptn1,MCC,0.7473494804316959, -DUD-E,SimilaritySearch,ptn1,AUROC,0.7659076883100009, -DUD-E,SimilaritySearch,ptn1,BEDROC,0.3228887205425084, -DUD-E,SimilaritySearch,ptn1,Enrichment factor 1%,14.280185758513932, -DUD-E,SimilaritySearch,ptn1,Enrichment factor 5%,5.834914611005693, -DUD-E,SimilaritySearch,ptn1,RIE,5.401390813605376, -DUD-E,SimilaritySearch,ptn1,AUPRC,0.1820617681573753, +DUD-E,SimilaritySearch_Mean,ptn1,AUROC,0.7659076883100009, +DUD-E,SimilaritySearch_Mean,ptn1,BEDROC,0.3228887205425084, +DUD-E,SimilaritySearch_Mean,ptn1,Enrichment factor 1%,14.280185758513932, +DUD-E,SimilaritySearch_Mean,ptn1,Enrichment factor 5%,5.834914611005693, +DUD-E,SimilaritySearch_Mean,ptn1,RIE,5.401390813605376, +DUD-E,SimilaritySearch_Mean,ptn1,AUPRC,0.1820617681573753, +DUD-E,SimilaritySearch_Max,ptn1,AUROC,0.8667538246662553, +DUD-E,SimilaritySearch_Max,ptn1,BEDROC,0.6850101116619833, +DUD-E,SimilaritySearch_Max,ptn1,Enrichment factor 1%,45.696594427244584, +DUD-E,SimilaritySearch_Max,ptn1,Enrichment factor 5%,13.420303605313094, +DUD-E,SimilaritySearch_Max,ptn1,RIE,11.459078843296123, +DUD-E,SimilaritySearch_Max,ptn1,AUPRC,0.5818514856878968, +DUD-E,LightGBM_Ranker,ptn1,AUROC,0.9354272907395978, +DUD-E,LightGBM_Ranker,ptn1,BEDROC,0.661011855306189, +DUD-E,LightGBM_Ranker,ptn1,Enrichment factor 1%,37.128482972136226, +DUD-E,LightGBM_Ranker,ptn1,Enrichment factor 5%,12.253320683111955, +DUD-E,LightGBM_Ranker,ptn1,RIE,11.057627965703581, +DUD-E,LightGBM_Ranker,ptn1,AUPRC,0.517327366689573, +DUD-E,LightGBM_Ranker,ptn1,accuracy,0.5176151761517616, +DUD-E,LightGBM_Ranker,ptn1,F1 score,0.06903765690376569, +DUD-E,LightGBM_Ranker,ptn1,recall,0.9705882352941176, +DUD-E,LightGBM_Ranker,ptn1,precision,0.03579175704989154, +DUD-E,LightGBM_Ranker,ptn1,MCC,0.12903317636498013, DUD-E,RandomForest,pygm,AUROC,0.9994363727454909, DUD-E,RandomForest,pygm,BEDROC,0.9910961365483546, DUD-E,RandomForest,pygm,Enrichment factor 1%,80.02272727272727, @@ -5789,12 +9291,29 @@ DUD-E,LogisticRegression,pygm,F1 score,0.7368421052631579, DUD-E,LogisticRegression,pygm,recall,0.875, DUD-E,LogisticRegression,pygm,precision,0.6363636363636364, DUD-E,LogisticRegression,pygm,MCC,0.7439033924733138, -DUD-E,SimilaritySearch,pygm,AUROC,0.6730961923847695, -DUD-E,SimilaritySearch,pygm,BEDROC,0.5323142680090426, -DUD-E,SimilaritySearch,pygm,Enrichment factor 1%,45.72727272727273, -DUD-E,SimilaritySearch,pygm,Enrichment factor 5%,9.862745098039216, -DUD-E,SimilaritySearch,pygm,RIE,9.842816886684501, -DUD-E,SimilaritySearch,pygm,AUPRC,0.4007290539115018, +DUD-E,SimilaritySearch_Mean,pygm,AUROC,0.6730961923847695, +DUD-E,SimilaritySearch_Mean,pygm,BEDROC,0.5323142680090426, +DUD-E,SimilaritySearch_Mean,pygm,Enrichment factor 1%,45.72727272727273, +DUD-E,SimilaritySearch_Mean,pygm,Enrichment factor 5%,9.862745098039216, +DUD-E,SimilaritySearch_Mean,pygm,RIE,9.842816886684501, +DUD-E,SimilaritySearch_Mean,pygm,AUPRC,0.4007290539115018, +DUD-E,SimilaritySearch_Max,pygm,AUROC,0.93624749498998, +DUD-E,SimilaritySearch_Max,pygm,BEDROC,0.8251551239536367, +DUD-E,SimilaritySearch_Max,pygm,Enrichment factor 1%,68.5909090909091, +DUD-E,SimilaritySearch_Max,pygm,Enrichment factor 5%,17.25980392156863, +DUD-E,SimilaritySearch_Max,pygm,RIE,15.257623669336555, +DUD-E,SimilaritySearch_Max,pygm,AUPRC,0.7734118567893754, +DUD-E,LightGBM_Ranker,pygm,AUROC,0.8106212424849699, +DUD-E,LightGBM_Ranker,pygm,BEDROC,0.2995461870801495, +DUD-E,LightGBM_Ranker,pygm,Enrichment factor 1%,22.863636363636363, +DUD-E,LightGBM_Ranker,pygm,Enrichment factor 5%,4.931372549019608, +DUD-E,LightGBM_Ranker,pygm,RIE,5.5387925068447545, +DUD-E,LightGBM_Ranker,pygm,AUPRC,0.26775562742183234, +DUD-E,LightGBM_Ranker,pygm,accuracy,0.5079522862823062, +DUD-E,LightGBM_Ranker,pygm,F1 score,0.03131115459882583, +DUD-E,LightGBM_Ranker,pygm,recall,1.0, +DUD-E,LightGBM_Ranker,pygm,precision,0.015904572564612324, +DUD-E,LightGBM_Ranker,pygm,MCC,0.08953229620716904, DUD-E,RandomForest,src,AUROC,0.9457490326703332, DUD-E,RandomForest,src,BEDROC,0.8168764623151566, DUD-E,RandomForest,src,Enrichment factor 1%,63.16086956521739, @@ -5817,12 +9336,40 @@ DUD-E,LogisticRegression,src,F1 score,0.6190476190476191, DUD-E,LogisticRegression,src,recall,0.5652173913043478, DUD-E,LogisticRegression,src,precision,0.6842105263157895, DUD-E,LogisticRegression,src,MCC,0.6173404834455719, -DUD-E,SimilaritySearch,src,AUROC,0.8012619312378297, -DUD-E,SimilaritySearch,src,BEDROC,0.3927323109667697, -DUD-E,SimilaritySearch,src,Enrichment factor 1%,23.360869565217392, -DUD-E,SimilaritySearch,src,Enrichment factor 5%,7.127178876315267, -DUD-E,SimilaritySearch,src,RIE,6.907722877921464, -DUD-E,SimilaritySearch,src,AUPRC,0.19488520028180062, +DUD-E,SimilaritySearch_Mean,src,AUROC,0.8012619312378297, +DUD-E,SimilaritySearch_Mean,src,BEDROC,0.3927323109667697, +DUD-E,SimilaritySearch_Mean,src,Enrichment factor 1%,23.360869565217392, +DUD-E,SimilaritySearch_Mean,src,Enrichment factor 5%,7.127178876315267, +DUD-E,SimilaritySearch_Mean,src,RIE,6.907722877921464, +DUD-E,SimilaritySearch_Mean,src,AUPRC,0.19488520028180062, +DUD-E,SimilaritySearch_Max,src,AUROC,0.903172438777718, +DUD-E,SimilaritySearch_Max,src,BEDROC,0.698141735195401, +DUD-E,SimilaritySearch_Max,src,Enrichment factor 1%,51.04782608695652, +DUD-E,SimilaritySearch_Max,src,Enrichment factor 5%,13.55902322811197, +DUD-E,SimilaritySearch_Max,src,RIE,12.279533634427255, +DUD-E,SimilaritySearch_Max,src,AUPRC,0.565405184475965, +DUD-E,LightGBM_Ranker,src,AUROC,0.8937391505612777, +DUD-E,LightGBM_Ranker,src,BEDROC,0.6771262253527146, +DUD-E,LightGBM_Ranker,src,Enrichment factor 1%,45.856521739130436, +DUD-E,LightGBM_Ranker,src,Enrichment factor 5%,13.55902322811197, +DUD-E,LightGBM_Ranker,src,RIE,11.909894281903918, +DUD-E,LightGBM_Ranker,src,AUPRC,0.5151930739150128, +DUD-E,LightGBM_Ranker,src,accuracy,0.5106212882594792, +DUD-E,LightGBM_Ranker,src,F1 score,0.0462942354774093, +DUD-E,LightGBM_Ranker,src,recall,0.9043478260869565, +DUD-E,LightGBM_Ranker,src,precision,0.02375513933302878, +DUD-E,LightGBM_Ranker,src,MCC,0.0932936373603341, +WELQRATE,LightGBM_Ranker,AID1798,AUPRC,0.03223598116065672, +WELQRATE,LightGBM_Ranker,AID1798,AUROC,0.6119618646682302, +WELQRATE,LightGBM_Ranker,AID1798,BEDROC,0.15362724608587733, +WELQRATE,LightGBM_Ranker,AID1798,Enrichment factor 1%,9.795763719085665, +WELQRATE,LightGBM_Ranker,AID1798,Enrichment factor 5%,3.0981710262104607, +WELQRATE,LightGBM_Ranker,AID1798,F1 score,0.006162648596371943, +WELQRATE,LightGBM_Ranker,AID1798,MCC,0.011615031415179455, +WELQRATE,LightGBM_Ranker,AID1798,RIE,2.9956156102435707, +WELQRATE,LightGBM_Ranker,AID1798,accuracy,0.5006259265359907, +WELQRATE,LightGBM_Ranker,AID1798,precision,0.003097134287164147, +WELQRATE,LightGBM_Ranker,AID1798,recall,0.6207189198193696, WELQRATE,LogisticRegression,AID1798,AUPRC,0.024492932571104034, WELQRATE,LogisticRegression,AID1798,AUROC,0.6572656153336199, WELQRATE,LogisticRegression,AID1798,BEDROC,0.18820372141964653, @@ -5834,8 +9381,8 @@ WELQRATE,LogisticRegression,AID1798,RIE,3.6713281331433976, WELQRATE,LogisticRegression,AID1798,accuracy,0.9974633503541426, WELQRATE,LogisticRegression,AID1798,precision,0.0, WELQRATE,LogisticRegression,AID1798,recall,0.0, -WELQRATE,RandomForest,AID1798,AUPRC,0.011477653090522, -WELQRATE,RandomForest,AID1798,AUROC,0.6268460368801989, +WELQRATE,RandomForest,AID1798,AUPRC,0.011477534322338096, +WELQRATE,RandomForest,AID1798,AUROC,0.6268446018356946, WELQRATE,RandomForest,AID1798,BEDROC,0.16606732096639082, WELQRATE,RandomForest,AID1798,Enrichment factor 1%,6.524676573985936, WELQRATE,RandomForest,AID1798,Enrichment factor 5%,3.4037182185341663, @@ -5845,12 +9392,29 @@ WELQRATE,RandomForest,AID1798,RIE,3.238278688576513, WELQRATE,RandomForest,AID1798,accuracy,0.9973480480975127, WELQRATE,RandomForest,AID1798,precision,0.0, WELQRATE,RandomForest,AID1798,recall,0.0, -WELQRATE,SimilaritySearch,AID1798,AUPRC,0.0037941139184904256, -WELQRATE,SimilaritySearch,AID1798,AUROC,0.5590547794790812, -WELQRATE,SimilaritySearch,AID1798,BEDROC,0.0798263727946139, -WELQRATE,SimilaritySearch,AID1798,Enrichment factor 1%,1.4183456086164568, -WELQRATE,SimilaritySearch,AID1798,Enrichment factor 5%,1.4561032487549492, -WELQRATE,SimilaritySearch,AID1798,RIE,1.5584824454453305, +WELQRATE,SimilaritySearch_Max,AID1798,AUPRC,0.007006617574255377, +WELQRATE,SimilaritySearch_Max,AID1798,AUROC,0.571665377638684, +WELQRATE,SimilaritySearch_Max,AID1798,BEDROC,0.12029646427740666, +WELQRATE,SimilaritySearch_Max,AID1798,Enrichment factor 1%,6.95907250185275, +WELQRATE,SimilaritySearch_Max,AID1798,Enrichment factor 5%,2.172344961202424, +WELQRATE,SimilaritySearch_Max,AID1798,RIE,2.346701208994566, +WELQRATE,SimilaritySearch_Mean,AID1798,AUPRC,0.0037941139184904256, +WELQRATE,SimilaritySearch_Mean,AID1798,AUROC,0.5590547794790812, +WELQRATE,SimilaritySearch_Mean,AID1798,BEDROC,0.0798263727946139, +WELQRATE,SimilaritySearch_Mean,AID1798,Enrichment factor 1%,1.4183456086164568, +WELQRATE,SimilaritySearch_Mean,AID1798,Enrichment factor 5%,1.4561032487549492, +WELQRATE,SimilaritySearch_Mean,AID1798,RIE,1.5584824454453305, +WELQRATE,LightGBM_Ranker,AID1843,AUPRC,0.013050931959059698, +WELQRATE,LightGBM_Ranker,AID1843,AUROC,0.8001075645541457, +WELQRATE,LightGBM_Ranker,AID1843,BEDROC,0.3227450451527031, +WELQRATE,LightGBM_Ranker,AID1843,Enrichment factor 1%,20.648144121695193, +WELQRATE,LightGBM_Ranker,AID1843,Enrichment factor 5%,7.174443374912241, +WELQRATE,LightGBM_Ranker,AID1843,F1 score,0.002051265794149582, +WELQRATE,LightGBM_Ranker,AID1843,MCC,0.018358713721912903, +WELQRATE,LightGBM_Ranker,AID1843,RIE,6.4172270493984644, +WELQRATE,LightGBM_Ranker,AID1843,accuracy,0.5004856389621202, +WELQRATE,LightGBM_Ranker,AID1843,precision,0.0010268591869569083, +WELQRATE,LightGBM_Ranker,AID1843,recall,0.8785760368663593, WELQRATE,LogisticRegression,AID1843,AUPRC,0.033304021894373495, WELQRATE,LogisticRegression,AID1843,AUROC,0.8517210802199202, WELQRATE,LogisticRegression,AID1843,BEDROC,0.40375955217527826, @@ -5873,12 +9437,29 @@ WELQRATE,RandomForest,AID1843,RIE,8.152066136020471, WELQRATE,RandomForest,AID1843,accuracy,0.9993998889968086, WELQRATE,RandomForest,AID1843,precision,0.1, WELQRATE,RandomForest,AID1843,recall,0.005, -WELQRATE,SimilaritySearch,AID1843,AUPRC,0.01262839195346512, -WELQRATE,SimilaritySearch,AID1843,AUROC,0.6367240896659772, -WELQRATE,SimilaritySearch,AID1843,BEDROC,0.2085235774504362, -WELQRATE,SimilaritySearch,AID1843,Enrichment factor 1%,14.187994799805836, -WELQRATE,SimilaritySearch,AID1843,Enrichment factor 5%,4.308927890050243, -WELQRATE,SimilaritySearch,AID1843,RIE,4.146138363008681, +WELQRATE,SimilaritySearch_Max,AID1843,AUPRC,0.010587225006182796, +WELQRATE,SimilaritySearch_Max,AID1843,AUROC,0.6855501290434112, +WELQRATE,SimilaritySearch_Max,AID1843,BEDROC,0.2717418736188962, +WELQRATE,SimilaritySearch_Max,AID1843,Enrichment factor 1%,17.462556759764343, +WELQRATE,SimilaritySearch_Max,AID1843,Enrichment factor 5%,6.460145772515011, +WELQRATE,SimilaritySearch_Max,AID1843,RIE,5.402361589501394, +WELQRATE,SimilaritySearch_Mean,AID1843,AUPRC,0.01262839195346512, +WELQRATE,SimilaritySearch_Mean,AID1843,AUROC,0.6367240896659772, +WELQRATE,SimilaritySearch_Mean,AID1843,BEDROC,0.2085235774504362, +WELQRATE,SimilaritySearch_Mean,AID1843,Enrichment factor 1%,14.187994799805836, +WELQRATE,SimilaritySearch_Mean,AID1843,Enrichment factor 5%,4.308927890050243, +WELQRATE,SimilaritySearch_Mean,AID1843,RIE,4.146138363008681, +WELQRATE,LightGBM_Ranker,AID2258,AUPRC,0.014249888028171393, +WELQRATE,LightGBM_Ranker,AID2258,AUROC,0.6163794826903107, +WELQRATE,LightGBM_Ranker,AID2258,BEDROC,0.18752029490020852, +WELQRATE,LightGBM_Ranker,AID2258,Enrichment factor 1%,9.568048913733156, +WELQRATE,LightGBM_Ranker,AID2258,Enrichment factor 5%,4.389086975555994, +WELQRATE,LightGBM_Ranker,AID2258,F1 score,0.0022516078240606588, +WELQRATE,LightGBM_Ranker,AID2258,MCC,0.007899830859472453, +WELQRATE,LightGBM_Ranker,AID2258,RIE,3.716905859580598, +WELQRATE,LightGBM_Ranker,AID2258,accuracy,0.500271555824613, +WELQRATE,LightGBM_Ranker,AID2258,precision,0.0011278155628254675, +WELQRATE,LightGBM_Ranker,AID2258,recall,0.6325234709268323, WELQRATE,LogisticRegression,AID2258,AUPRC,0.011840658655953023, WELQRATE,LogisticRegression,AID2258,AUROC,0.7682192818802986, WELQRATE,LogisticRegression,AID2258,BEDROC,0.2612942464289904, @@ -5890,8 +9471,8 @@ WELQRATE,LogisticRegression,AID2258,RIE,5.179421230113377, WELQRATE,LogisticRegression,AID2258,accuracy,0.9991074980541382, WELQRATE,LogisticRegression,AID2258,precision,0.0, WELQRATE,LogisticRegression,AID2258,recall,0.0, -WELQRATE,RandomForest,AID2258,AUPRC,0.034873450882451126, -WELQRATE,RandomForest,AID2258,AUROC,0.6989085206099545, +WELQRATE,RandomForest,AID2258,AUPRC,0.0348733607731367, +WELQRATE,RandomForest,AID2258,AUROC,0.6989084527204623, WELQRATE,RandomForest,AID2258,BEDROC,0.3625917299754196, WELQRATE,RandomForest,AID2258,Enrichment factor 1%,20.360237695450174, WELQRATE,RandomForest,AID2258,Enrichment factor 5%,6.926516437402728, @@ -5901,12 +9482,29 @@ WELQRATE,RandomForest,AID2258,RIE,7.187206800310105, WELQRATE,RandomForest,AID2258,accuracy,0.9990798235751968, WELQRATE,RandomForest,AID2258,precision,0.2, WELQRATE,RandomForest,AID2258,recall,0.011653061224489796, -WELQRATE,SimilaritySearch,AID2258,AUPRC,0.001244329522369119, -WELQRATE,SimilaritySearch,AID2258,AUROC,0.5320437589846398, -WELQRATE,SimilaritySearch,AID2258,BEDROC,0.07406491862257422, -WELQRATE,SimilaritySearch,AID2258,Enrichment factor 1%,2.7148592129823896, -WELQRATE,SimilaritySearch,AID2258,Enrichment factor 5%,1.4728759768282162, -WELQRATE,SimilaritySearch,AID2258,RIE,1.468173178604284, +WELQRATE,SimilaritySearch_Max,AID2258,AUPRC,0.012863550890996191, +WELQRATE,SimilaritySearch_Max,AID2258,AUROC,0.6860856086344292, +WELQRATE,SimilaritySearch_Max,AID2258,BEDROC,0.23298222072671287, +WELQRATE,SimilaritySearch_Max,AID2258,Enrichment factor 1%,16.176411255614244, +WELQRATE,SimilaritySearch_Max,AID2258,Enrichment factor 5%,4.929978419220707, +WELQRATE,SimilaritySearch_Max,AID2258,RIE,4.61806842058523, +WELQRATE,SimilaritySearch_Mean,AID2258,AUPRC,0.001244329522369119, +WELQRATE,SimilaritySearch_Mean,AID2258,AUROC,0.5320437589846398, +WELQRATE,SimilaritySearch_Mean,AID2258,BEDROC,0.07406491862257422, +WELQRATE,SimilaritySearch_Mean,AID2258,Enrichment factor 1%,2.7148592129823896, +WELQRATE,SimilaritySearch_Mean,AID2258,Enrichment factor 5%,1.4728759768282162, +WELQRATE,SimilaritySearch_Mean,AID2258,RIE,1.468173178604284, +WELQRATE,LightGBM_Ranker,AID2689,AUPRC,0.009824631052254078, +WELQRATE,LightGBM_Ranker,AID2689,AUROC,0.7541545530316377, +WELQRATE,LightGBM_Ranker,AID2689,BEDROC,0.2983511235055715, +WELQRATE,LightGBM_Ranker,AID2689,Enrichment factor 1%,15.487324849480022, +WELQRATE,LightGBM_Ranker,AID2689,Enrichment factor 5%,7.876897099069512, +WELQRATE,LightGBM_Ranker,AID2689,F1 score,0.0011291346168133126, +WELQRATE,LightGBM_Ranker,AID2689,MCC,0.010749813567411828, +WELQRATE,LightGBM_Ranker,AID2689,RIE,5.944521781808538, +WELQRATE,LightGBM_Ranker,AID2689,accuracy,0.5003169389933493, +WELQRATE,LightGBM_Ranker,AID2689,precision,0.0005649862607478774, +WELQRATE,LightGBM_Ranker,AID2689,recall,0.7804210526315789, WELQRATE,LogisticRegression,AID2689,AUPRC,0.011336811312774045, WELQRATE,LogisticRegression,AID2689,AUROC,0.8402389385715029, WELQRATE,LogisticRegression,AID2689,BEDROC,0.3457508789426906, @@ -5918,8 +9516,8 @@ WELQRATE,LogisticRegression,AID2689,RIE,6.889343991147588, WELQRATE,LogisticRegression,AID2689,accuracy,0.9996420067329008, WELQRATE,LogisticRegression,AID2689,precision,0.0, WELQRATE,LogisticRegression,AID2689,recall,0.0, -WELQRATE,RandomForest,AID2689,AUPRC,0.01694388648930002, -WELQRATE,RandomForest,AID2689,AUROC,0.7126171479289873, +WELQRATE,RandomForest,AID2689,AUPRC,0.016943901040093863, +WELQRATE,RandomForest,AID2689,AUROC,0.7126173450704363, WELQRATE,RandomForest,AID2689,BEDROC,0.5131191446635481, WELQRATE,RandomForest,AID2689,Enrichment factor 1%,27.89683223864258, WELQRATE,RandomForest,AID2689,Enrichment factor 5%,9.608860153256705, @@ -5929,12 +9527,29 @@ WELQRATE,RandomForest,AID2689,RIE,10.22546581068483, WELQRATE,RandomForest,AID2689,accuracy,0.999619016339601, WELQRATE,RandomForest,AID2689,precision,0.03333333333333333, WELQRATE,RandomForest,AID2689,recall,0.0125, -WELQRATE,SimilaritySearch,AID2689,AUPRC,0.0013578274133297535, -WELQRATE,SimilaritySearch,AID2689,AUROC,0.6806883035689875, -WELQRATE,SimilaritySearch,AID2689,BEDROC,0.17502805230088667, -WELQRATE,SimilaritySearch,AID2689,Enrichment factor 1%,4.799605911330049, -WELQRATE,SimilaritySearch,AID2689,Enrichment factor 5%,4.005109742747673, -WELQRATE,SimilaritySearch,AID2689,RIE,3.487463223544476, +WELQRATE,SimilaritySearch_Max,AID2689,AUPRC,0.006871986293297159, +WELQRATE,SimilaritySearch_Max,AID2689,AUROC,0.7702934269708547, +WELQRATE,SimilaritySearch_Max,AID2689,BEDROC,0.2537701979395374, +WELQRATE,SimilaritySearch_Max,AID2689,Enrichment factor 1%,14.851412151067322, +WELQRATE,SimilaritySearch_Max,AID2689,Enrichment factor 5%,5.945476737821565, +WELQRATE,SimilaritySearch_Max,AID2689,RIE,5.056614050164487, +WELQRATE,SimilaritySearch_Mean,AID2689,AUPRC,0.0013578274133297535, +WELQRATE,SimilaritySearch_Mean,AID2689,AUROC,0.6806883035689875, +WELQRATE,SimilaritySearch_Mean,AID2689,BEDROC,0.17502805230088667, +WELQRATE,SimilaritySearch_Mean,AID2689,Enrichment factor 1%,4.799605911330049, +WELQRATE,SimilaritySearch_Mean,AID2689,Enrichment factor 5%,4.005109742747673, +WELQRATE,SimilaritySearch_Mean,AID2689,RIE,3.487463223544476, +WELQRATE,LightGBM_Ranker,AID435008,AUPRC,0.0009478747949817496, +WELQRATE,LightGBM_Ranker,AID435008,AUROC,0.5716691573681231, +WELQRATE,LightGBM_Ranker,AID435008,BEDROC,0.0794355483179966, +WELQRATE,LightGBM_Ranker,AID435008,Enrichment factor 1%,2.5569828496861993, +WELQRATE,LightGBM_Ranker,AID435008,Enrichment factor 5%,1.5657240282933154, +WELQRATE,LightGBM_Ranker,AID435008,F1 score,0.0013635478659999888, +WELQRATE,LightGBM_Ranker,AID435008,MCC,0.004574639906757561, +WELQRATE,LightGBM_Ranker,AID435008,RIE,1.5796066966736046, +WELQRATE,LightGBM_Ranker,AID435008,accuracy,0.5001072612624325, +WELQRATE,LightGBM_Ranker,AID435008,precision,0.0006825716700253526, +WELQRATE,LightGBM_Ranker,AID435008,recall,0.598151796603809, WELQRATE,LogisticRegression,AID435008,AUPRC,0.0038871328588141033, WELQRATE,LogisticRegression,AID435008,AUROC,0.7972362869861872, WELQRATE,LogisticRegression,AID435008,BEDROC,0.30675614165500037, @@ -5957,12 +9572,29 @@ WELQRATE,RandomForest,AID435008,RIE,6.68347246628538, WELQRATE,RandomForest,AID435008,accuracy,0.9994246895924072, WELQRATE,RandomForest,AID435008,precision,0.0, WELQRATE,RandomForest,AID435008,recall,0.0, -WELQRATE,SimilaritySearch,AID435008,AUPRC,0.0008215531415353628, -WELQRATE,SimilaritySearch,AID435008,AUROC,0.6114857123256725, -WELQRATE,SimilaritySearch,AID435008,BEDROC,0.05482142154110705, -WELQRATE,SimilaritySearch,AID435008,Enrichment factor 1%,0.0, -WELQRATE,SimilaritySearch,AID435008,Enrichment factor 5%,0.5384524735267437, -WELQRATE,SimilaritySearch,AID435008,RIE,1.090196366604678, +WELQRATE,SimilaritySearch_Max,AID435008,AUPRC,0.008335798055923356, +WELQRATE,SimilaritySearch_Max,AID435008,AUROC,0.6570564545726717, +WELQRATE,SimilaritySearch_Max,AID435008,BEDROC,0.16774090256208848, +WELQRATE,SimilaritySearch_Max,AID435008,Enrichment factor 1%,10.279213709068761, +WELQRATE,SimilaritySearch_Max,AID435008,Enrichment factor 5%,3.3115853768081265, +WELQRATE,SimilaritySearch_Max,AID435008,RIE,3.3363906697911276, +WELQRATE,SimilaritySearch_Mean,AID435008,AUPRC,0.0008215531415353628, +WELQRATE,SimilaritySearch_Mean,AID435008,AUROC,0.6114857123256725, +WELQRATE,SimilaritySearch_Mean,AID435008,BEDROC,0.05482142154110705, +WELQRATE,SimilaritySearch_Mean,AID435008,Enrichment factor 1%,0.0, +WELQRATE,SimilaritySearch_Mean,AID435008,Enrichment factor 5%,0.5384524735267437, +WELQRATE,SimilaritySearch_Mean,AID435008,RIE,1.090196366604678, +WELQRATE,LightGBM_Ranker,AID435034,AUPRC,0.020685529195581608, +WELQRATE,LightGBM_Ranker,AID435034,AUROC,0.7738181631637465, +WELQRATE,LightGBM_Ranker,AID435034,BEDROC,0.3475125551594306, +WELQRATE,LightGBM_Ranker,AID435034,Enrichment factor 1%,21.64542501136824, +WELQRATE,LightGBM_Ranker,AID435034,Enrichment factor 5%,7.683179350163226, +WELQRATE,LightGBM_Ranker,AID435034,F1 score,0.004954149362778925, +WELQRATE,LightGBM_Ranker,AID435034,MCC,0.025548770109598558, +WELQRATE,LightGBM_Ranker,AID435034,RIE,6.847358641923191, +WELQRATE,LightGBM_Ranker,AID435034,accuracy,0.5010353681769237, +WELQRATE,LightGBM_Ranker,AID435034,precision,0.0024850894632206756, +WELQRATE,LightGBM_Ranker,AID435034,recall,0.8372319467971643, WELQRATE,LogisticRegression,AID435034,AUPRC,0.0185969801806306, WELQRATE,LogisticRegression,AID435034,AUROC,0.8414842836667311, WELQRATE,LogisticRegression,AID435034,BEDROC,0.31368997628502276, @@ -5985,12 +9617,29 @@ WELQRATE,RandomForest,AID435034,RIE,7.253382542155964, WELQRATE,RandomForest,AID435034,accuracy,0.9984593721527375, WELQRATE,RandomForest,AID435034,precision,0.0, WELQRATE,RandomForest,AID435034,recall,0.0, -WELQRATE,SimilaritySearch,AID435034,AUPRC,0.0017944995739009213, -WELQRATE,SimilaritySearch,AID435034,AUROC,0.5060164064092456, -WELQRATE,SimilaritySearch,AID435034,BEDROC,0.05119561476054627, -WELQRATE,SimilaritySearch,AID435034,Enrichment factor 1%,0.0, -WELQRATE,SimilaritySearch,AID435034,Enrichment factor 5%,0.896449929761188, -WELQRATE,SimilaritySearch,AID435034,RIE,1.0090239934655802, +WELQRATE,SimilaritySearch_Max,AID435034,AUPRC,0.009476897116254011, +WELQRATE,SimilaritySearch_Max,AID435034,AUROC,0.6917077988087637, +WELQRATE,SimilaritySearch_Max,AID435034,BEDROC,0.17712832434755166, +WELQRATE,SimilaritySearch_Max,AID435034,Enrichment factor 1%,11.639819819259273, +WELQRATE,SimilaritySearch_Max,AID435034,Enrichment factor 5%,2.886362105278028, +WELQRATE,SimilaritySearch_Max,AID435034,RIE,3.4879174504140686, +WELQRATE,SimilaritySearch_Mean,AID435034,AUPRC,0.0017944995739009213, +WELQRATE,SimilaritySearch_Mean,AID435034,AUROC,0.5060164064092456, +WELQRATE,SimilaritySearch_Mean,AID435034,BEDROC,0.05119561476054627, +WELQRATE,SimilaritySearch_Mean,AID435034,Enrichment factor 1%,0.0, +WELQRATE,SimilaritySearch_Mean,AID435034,Enrichment factor 5%,0.896449929761188, +WELQRATE,SimilaritySearch_Mean,AID435034,RIE,1.0090239934655802, 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WELQRATE,LogisticRegression,AID463087,accuracy,0.9936330371144798, WELQRATE,LogisticRegression,AID463087,precision,0.39, WELQRATE,LogisticRegression,AID463087,recall,0.04786594146594146, WELQRATE,RandomForest,AID463087,AUPRC,0.1506346727530578, -WELQRATE,RandomForest,AID463087,AUROC,0.8236758728471996, +WELQRATE,RandomForest,AID463087,AUROC,0.8236758728471998, WELQRATE,RandomForest,AID463087,BEDROC,0.4091503639414166, WELQRATE,RandomForest,AID463087,Enrichment factor 1%,25.043577587130905, WELQRATE,RandomForest,AID463087,Enrichment factor 5%,8.724035990224255, @@ -6013,12 +9662,29 @@ WELQRATE,RandomForest,AID463087,RIE,7.666957957644781, WELQRATE,RandomForest,AID463087,accuracy,0.9936748562467329, WELQRATE,RandomForest,AID463087,precision,0.5732867132867133, WELQRATE,RandomForest,AID463087,recall,0.06808887308548325, -WELQRATE,SimilaritySearch,AID463087,AUPRC,0.010271126101228812, -WELQRATE,SimilaritySearch,AID463087,AUROC,0.6343317875707883, -WELQRATE,SimilaritySearch,AID463087,BEDROC,0.0971816456626589, -WELQRATE,SimilaritySearch,AID463087,Enrichment factor 1%,0.6164957534749201, -WELQRATE,SimilaritySearch,AID463087,Enrichment factor 5%,1.6381712626334413, -WELQRATE,SimilaritySearch,AID463087,RIE,1.8227794137951474, +WELQRATE,SimilaritySearch_Max,AID463087,AUPRC,0.0627976822493621, +WELQRATE,SimilaritySearch_Max,AID463087,AUROC,0.7874856565210141, +WELQRATE,SimilaritySearch_Max,AID463087,BEDROC,0.3178283182245528, +WELQRATE,SimilaritySearch_Max,AID463087,Enrichment factor 1%,16.301101216880525, +WELQRATE,SimilaritySearch_Max,AID463087,Enrichment factor 5%,6.7943368586368065, +WELQRATE,SimilaritySearch_Max,AID463087,RIE,5.95304807315776, +WELQRATE,SimilaritySearch_Mean,AID463087,AUPRC,0.010271126101228812, +WELQRATE,SimilaritySearch_Mean,AID463087,AUROC,0.6343317875707883, +WELQRATE,SimilaritySearch_Mean,AID463087,BEDROC,0.0971816456626589, +WELQRATE,SimilaritySearch_Mean,AID463087,Enrichment factor 1%,0.6164957534749201, +WELQRATE,SimilaritySearch_Mean,AID463087,Enrichment factor 5%,1.6381712626334413, +WELQRATE,SimilaritySearch_Mean,AID463087,RIE,1.8227794137951474, +WELQRATE,LightGBM_Ranker,AID485290,AUPRC,0.014313144754210094, +WELQRATE,LightGBM_Ranker,AID485290,AUROC,0.6633910701147133, +WELQRATE,LightGBM_Ranker,AID485290,BEDROC,0.1635221802684913, +WELQRATE,LightGBM_Ranker,AID485290,Enrichment factor 1%,6.895697339573888, +WELQRATE,LightGBM_Ranker,AID485290,Enrichment factor 5%,3.491767002866136, +WELQRATE,LightGBM_Ranker,AID485290,F1 score,0.006304337367930052, +WELQRATE,LightGBM_Ranker,AID485290,MCC,0.021503465347148625, +WELQRATE,LightGBM_Ranker,AID485290,RIE,3.2007076931686607, +WELQRATE,LightGBM_Ranker,AID485290,accuracy,0.5010332746447562, +WELQRATE,LightGBM_Ranker,AID485290,precision,0.003165842527706717, +WELQRATE,LightGBM_Ranker,AID485290,recall,0.730823883921708, WELQRATE,LogisticRegression,AID485290,AUPRC,0.02864415486904907, WELQRATE,LogisticRegression,AID485290,AUROC,0.7674418970958701, WELQRATE,LogisticRegression,AID485290,BEDROC,0.3091438267142505, @@ -6030,23 +9696,40 @@ WELQRATE,LogisticRegression,AID485290,RIE,6.050816496045799, WELQRATE,LogisticRegression,AID485290,accuracy,0.9978338579736434, WELQRATE,LogisticRegression,AID485290,precision,0.0, WELQRATE,LogisticRegression,AID485290,recall,0.0, -WELQRATE,RandomForest,AID485290,AUPRC,0.0462456785281593, -WELQRATE,RandomForest,AID485290,AUROC,0.7451971816339251, -WELQRATE,RandomForest,AID485290,BEDROC,0.36667019582860555, +WELQRATE,RandomForest,AID485290,AUPRC,0.046248745450262085, +WELQRATE,RandomForest,AID485290,AUROC,0.745197485058635, +WELQRATE,RandomForest,AID485290,BEDROC,0.3666809767234065, WELQRATE,RandomForest,AID485290,Enrichment factor 1%,23.31867883634085, WELQRATE,RandomForest,AID485290,Enrichment factor 5%,8.070535277821989, WELQRATE,RandomForest,AID485290,F1 score,0.019260307683799764, WELQRATE,RandomForest,AID485290,MCC,0.06272839721667225, -WELQRATE,RandomForest,AID485290,RIE,7.176748227736203, +WELQRATE,RandomForest,AID485290,RIE,7.176959396910116, WELQRATE,RandomForest,AID485290,accuracy,0.9978125166728912, WELQRATE,RandomForest,AID485290,precision,0.44666666666666666, WELQRATE,RandomForest,AID485290,recall,0.009931089033648319, -WELQRATE,SimilaritySearch,AID485290,AUPRC,0.0028023134714995524, -WELQRATE,SimilaritySearch,AID485290,AUROC,0.5551574557965971, -WELQRATE,SimilaritySearch,AID485290,BEDROC,0.07177297040099681, -WELQRATE,SimilaritySearch,AID485290,Enrichment factor 1%,1.4886116505576754, -WELQRATE,SimilaritySearch,AID485290,Enrichment factor 5%,1.2489455284632223, -WELQRATE,SimilaritySearch,AID485290,RIE,1.4048413915881592, +WELQRATE,SimilaritySearch_Max,AID485290,AUPRC,0.010374896514122083, +WELQRATE,SimilaritySearch_Max,AID485290,AUROC,0.681420137613261, +WELQRATE,SimilaritySearch_Max,AID485290,BEDROC,0.2222109222230225, +WELQRATE,SimilaritySearch_Max,AID485290,Enrichment factor 1%,8.968567365508068, +WELQRATE,SimilaritySearch_Max,AID485290,Enrichment factor 5%,5.086469345184194, +WELQRATE,SimilaritySearch_Max,AID485290,RIE,4.34923604398867, +WELQRATE,SimilaritySearch_Mean,AID485290,AUPRC,0.0028023134714995524, +WELQRATE,SimilaritySearch_Mean,AID485290,AUROC,0.5551574557965971, +WELQRATE,SimilaritySearch_Mean,AID485290,BEDROC,0.07177297040099681, +WELQRATE,SimilaritySearch_Mean,AID485290,Enrichment factor 1%,1.4886116505576754, +WELQRATE,SimilaritySearch_Mean,AID485290,Enrichment factor 5%,1.2489455284632223, +WELQRATE,SimilaritySearch_Mean,AID485290,RIE,1.4048413915881592, +WELQRATE,LightGBM_Ranker,AID488997,AUPRC,0.0012310977401397915, +WELQRATE,LightGBM_Ranker,AID488997,AUROC,0.5628577058940399, +WELQRATE,LightGBM_Ranker,AID488997,BEDROC,0.07172874319555016, +WELQRATE,LightGBM_Ranker,AID488997,Enrichment factor 1%,1.0839531214784763, +WELQRATE,LightGBM_Ranker,AID488997,Enrichment factor 5%,1.3742893768302116, +WELQRATE,LightGBM_Ranker,AID488997,F1 score,0.002255479938508446, +WELQRATE,LightGBM_Ranker,AID488997,MCC,0.008303124731872811, +WELQRATE,LightGBM_Ranker,AID488997,RIE,1.4218284057419666, +WELQRATE,LightGBM_Ranker,AID488997,accuracy,0.5002633676404338, +WELQRATE,LightGBM_Ranker,AID488997,precision,0.0011297561224902083, +WELQRATE,LightGBM_Ranker,AID488997,recall,0.642589615801957, WELQRATE,LogisticRegression,AID488997,AUPRC,0.0033923656172663436, WELQRATE,LogisticRegression,AID488997,AUROC,0.7078299132372162, WELQRATE,LogisticRegression,AID488997,BEDROC,0.16939076338039377, @@ -6058,8 +9741,8 @@ WELQRATE,LogisticRegression,AID488997,RIE,3.3579925649113647, WELQRATE,LogisticRegression,AID488997,accuracy,0.9991128668953806, WELQRATE,LogisticRegression,AID488997,precision,0.0, WELQRATE,LogisticRegression,AID488997,recall,0.0, -WELQRATE,RandomForest,AID488997,AUPRC,0.020251993556617644, -WELQRATE,RandomForest,AID488997,AUROC,0.7112931935335999, +WELQRATE,RandomForest,AID488997,AUPRC,0.020252005473624882, +WELQRATE,RandomForest,AID488997,AUROC,0.7112932706017725, WELQRATE,RandomForest,AID488997,BEDROC,0.4012413669187865, WELQRATE,RandomForest,AID488997,Enrichment factor 1%,24.987588427777077, WELQRATE,RandomForest,AID488997,Enrichment factor 5%,7.8000437273395535, @@ -6069,9 +9752,15 @@ WELQRATE,RandomForest,AID488997,RIE,7.95322307923111, WELQRATE,RandomForest,AID488997,accuracy,0.9990816786221715, WELQRATE,RandomForest,AID488997,precision,0.1, WELQRATE,RandomForest,AID488997,recall,0.0034482758620689655, -WELQRATE,SimilaritySearch,AID488997,AUPRC,0.001348110391946301, -WELQRATE,SimilaritySearch,AID488997,AUROC,0.5430054047141581, -WELQRATE,SimilaritySearch,AID488997,BEDROC,0.09580801097396782, -WELQRATE,SimilaritySearch,AID488997,Enrichment factor 1%,3.340761738096185, -WELQRATE,SimilaritySearch,AID488997,Enrichment factor 5%,2.302052805283295, -WELQRATE,SimilaritySearch,AID488997,RIE,1.8999947047673587, +WELQRATE,SimilaritySearch_Max,AID488997,AUPRC,0.010731318716144227, +WELQRATE,SimilaritySearch_Max,AID488997,AUROC,0.6543877195558859, +WELQRATE,SimilaritySearch_Max,AID488997,BEDROC,0.19062848110350006, +WELQRATE,SimilaritySearch_Max,AID488997,Enrichment factor 1%,12.27568040931187, +WELQRATE,SimilaritySearch_Max,AID488997,Enrichment factor 5%,4.182271013958855, +WELQRATE,SimilaritySearch_Max,AID488997,RIE,3.779254961433871, +WELQRATE,SimilaritySearch_Mean,AID488997,AUPRC,0.001348110391946301, +WELQRATE,SimilaritySearch_Mean,AID488997,AUROC,0.5430054047141581, +WELQRATE,SimilaritySearch_Mean,AID488997,BEDROC,0.09580801097396782, +WELQRATE,SimilaritySearch_Mean,AID488997,Enrichment factor 1%,3.340761738096185, +WELQRATE,SimilaritySearch_Mean,AID488997,Enrichment factor 5%,2.302052805283295, +WELQRATE,SimilaritySearch_Mean,AID488997,RIE,1.8999947047673587,