chebai/electra_chebi50-3star_v244
Updated
program stringlengths 6 56 | chebi_id stringlengths 10 12 | class_name stringlengths 3 53 | val dict | train dict |
|---|---|---|---|---|
11_12_saturated_fatty_acyl_CoA_4__.py | CHEBI:84948 | 11,12-saturated fatty acyl-CoA(4-) | {
"num_pos": 12,
"num_neg": 35563,
"status": "ok",
"success": true,
"precision": 0.2692307692,
"recall": 0.5833333333,
"f1": 0.3684210526,
"accuracy": 0.9993253689,
"negative_predictive_value": 0.9998593491,
"num_true_positives": 7,
"num_false_positives": 19,
"num_true_negatives": 35544,
"num_... | {
"success": true,
"precision": 0.3563218391,
"recall": 0.4492753623,
"f1": 0.3974358974,
"accuracy": 0.9993394238,
"negative_predictive_value": 0.9997327952,
"num_true_positives": 31,
"num_false_positives": 56,
"num_true_negatives": 142175,
"num_false_negatives": 38,
"error": ""
} |
11_oxo_steroid.py | CHEBI:47787 | 11-oxo steroid | {
"num_pos": 11,
"num_neg": 35564,
"status": "ok",
"success": true,
"precision": 0.0204460967,
"recall": 1,
"f1": 0.0400728597,
"accuracy": 0.9851862263,
"negative_predictive_value": 1,
"num_true_positives": 11,
"num_false_positives": 527,
"num_true_negatives": 35037,
"num_false_negatives": 0,... | {
"success": true,
"precision": 0.0135931128,
"recall": 0.9375,
"f1": 0.0267976775,
"accuracy": 0.9846872804,
"negative_predictive_value": 0.9999857238,
"num_true_positives": 30,
"num_false_positives": 2177,
"num_true_negatives": 140091,
"num_false_negatives": 2,
"error": ""
} |
11beta_hydroxy_steroid.py | CHEBI:35346 | 11beta-hydroxy steroid | {
"num_pos": 18,
"num_neg": 35557,
"status": "ok",
"success": true,
"precision": 0.0147058824,
"recall": 1,
"f1": 0.0289855072,
"accuracy": 0.9660997892,
"negative_predictive_value": 1,
"num_true_positives": 18,
"num_false_positives": 1206,
"num_true_negatives": 34351,
"num_false_negatives": 0... | {
"success": true,
"precision": 0.0146937086,
"recall": 1,
"f1": 0.0289618601,
"accuracy": 0.9665425158,
"negative_predictive_value": 1,
"num_true_positives": 71,
"num_false_positives": 4761,
"num_true_negatives": 137468,
"num_false_negatives": 0,
"error": ""
} |
16beta_hydroxy_steroid.py | CHEBI:17354 | 16beta-hydroxy steroid | {
"num_pos": 4,
"num_neg": 35571,
"status": "ok",
"success": true,
"precision": 0.0095541401,
"recall": 0.75,
"f1": 0.0188679245,
"accuracy": 0.9912297962,
"negative_predictive_value": 0.9999716401,
"num_true_positives": 3,
"num_false_positives": 311,
"num_true_negatives": 35260,
"num_false_ne... | {
"success": true,
"precision": 0.0144115292,
"recall": 0.6923076923,
"f1": 0.0282352941,
"accuracy": 0.9912930429,
"negative_predictive_value": 0.9999432829,
"num_true_positives": 18,
"num_false_positives": 1231,
"num_true_negatives": 141043,
"num_false_negatives": 8,
"error": ""
} |
17alpha_hydroxy_steroid.py | CHEBI:35342 | 17alpha-hydroxy steroid | {
"num_pos": 19,
"num_neg": 35556,
"status": "ok",
"success": true,
"precision": 0.1415929204,
"recall": 0.8421052632,
"f1": 0.2424242424,
"accuracy": 0.9971890372,
"negative_predictive_value": 0.9999154024,
"num_true_positives": 16,
"num_false_positives": 97,
"num_true_negatives": 35459,
"num... | {
"success": true,
"precision": 0.1709401709,
"recall": 0.9302325581,
"f1": 0.2888086643,
"accuracy": 0.9972312017,
"negative_predictive_value": 0.9999576964,
"num_true_positives": 80,
"num_false_positives": 388,
"num_true_negatives": 141826,
"num_false_negatives": 6,
"error": ""
} |
17beta_hydroxy_steroid.py | CHEBI:35343 | 17beta-hydroxy steroid | {
"num_pos": 29,
"num_neg": 35546,
"status": "ok",
"success": true,
"precision": 0.0766129032,
"recall": 0.6551724138,
"f1": 0.1371841155,
"accuracy": 0.993281799,
"negative_predictive_value": 0.9997169304,
"num_true_positives": 19,
"num_false_positives": 229,
"num_true_negatives": 35317,
"num... | {
"success": true,
"precision": 0.0664767331,
"recall": 0.8641975309,
"f1": 0.1234567901,
"accuracy": 0.9930147576,
"negative_predictive_value": 0.9999221222,
"num_true_positives": 70,
"num_false_positives": 983,
"num_true_negatives": 141236,
"num_false_negatives": 11,
"error": ""
} |
1_2_4_triazines.py | CHEBI:39410 | 1,2,4-triazines | {
"num_pos": 3,
"num_neg": 35572,
"status": "ok",
"success": true,
"precision": 0.1428571429,
"recall": 0.6666666667,
"f1": 0.2352941176,
"accuracy": 0.9996345748,
"negative_predictive_value": 0.9999718793,
"num_true_positives": 2,
"num_false_positives": 12,
"num_true_negatives": 35560,
"num_f... | {
"success": true,
"precision": 0.3650793651,
"recall": 0.8846153846,
"f1": 0.5168539326,
"accuracy": 0.9996978215,
"negative_predictive_value": 0.9999789084,
"num_true_positives": 23,
"num_false_positives": 40,
"num_true_negatives": 142234,
"num_false_negatives": 3,
"error": ""
} |
1_2_diacyl_sn_glycero_3_phosphocholine.py | CHEBI:57643 | 1,2-diacyl-sn-glycero-3-phosphocholine | {
"num_pos": 146,
"num_neg": 35429,
"status": "ok",
"success": true,
"precision": 0.9530201342,
"recall": 0.9726027397,
"f1": 0.9627118644,
"accuracy": 0.9996907941,
"negative_predictive_value": 0.9998870886,
"num_true_positives": 142,
"num_false_positives": 7,
"num_true_negatives": 35422,
"nu... | {
"success": true,
"precision": 0.9792332268,
"recall": 0.9823717949,
"f1": 0.9808,
"accuracy": 0.9998313422,
"negative_predictive_value": 0.999922357,
"num_true_positives": 613,
"num_false_positives": 13,
"num_true_negatives": 141663,
"num_false_negatives": 11,
"error": ""
} |
1_O_acylglycerophosphoethanolamine.py | CHEBI:55493 | 1-O-acylglycerophosphoethanolamine | {
"num_pos": 4,
"num_neg": 35571,
"status": "ok",
"success": true,
"precision": 0.4444444444,
"recall": 1,
"f1": 0.6153846154,
"accuracy": 0.9998594519,
"negative_predictive_value": 1,
"num_true_positives": 4,
"num_false_positives": 5,
"num_true_negatives": 35566,
"num_false_negatives": 0,
"... | {
"success": true,
"precision": 0.6279069767,
"recall": 1,
"f1": 0.7714285714,
"accuracy": 0.9998875615,
"negative_predictive_value": 1,
"num_true_positives": 27,
"num_false_positives": 16,
"num_true_negatives": 142257,
"num_false_negatives": 0,
"error": ""
} |
1_acyl_sn_glycero_3_phosphoethanolamine.py | CHEBI:29017 | 1-acyl-sn-glycero-3-phosphoethanolamine | {
"num_pos": 4,
"num_neg": 35571,
"status": "ok",
"success": true,
"precision": 0.0666666667,
"recall": 1,
"f1": 0.125,
"accuracy": 0.9984258609,
"negative_predictive_value": 1,
"num_true_positives": 4,
"num_false_positives": 56,
"num_true_negatives": 35515,
"num_false_negatives": 0,
"error"... | {
"success": true,
"precision": 0.0919117647,
"recall": 0.9259259259,
"f1": 0.1672240803,
"accuracy": 0.9982501757,
"negative_predictive_value": 0.9999859183,
"num_true_positives": 25,
"num_false_positives": 247,
"num_true_negatives": 142026,
"num_false_negatives": 2,
"error": ""
} |
1_acyl_sn_glycero_3_phosphoserine.py | CHEBI:52603 | 1-acyl-sn-glycero-3-phosphoserine | {
"num_pos": 7,
"num_neg": 35568,
"status": "ok",
"success": true,
"precision": 0.0875,
"recall": 1,
"f1": 0.1609195402,
"accuracy": 0.9979479972,
"negative_predictive_value": 1,
"num_true_positives": 7,
"num_false_positives": 73,
"num_true_negatives": 35495,
"num_false_negatives": 0,
"error... | {
"success": true,
"precision": 0.0686015831,
"recall": 1,
"f1": 0.1283950617,
"accuracy": 0.9975193254,
"negative_predictive_value": 1,
"num_true_positives": 26,
"num_false_positives": 353,
"num_true_negatives": 141921,
"num_false_negatives": 0,
"error": ""
} |
1_monoglyceride.py | CHEBI:35759 | 1-monoglyceride | {
"num_pos": 17,
"num_neg": 35558,
"status": "ok",
"success": true,
"precision": 0.9375,
"recall": 0.8823529412,
"f1": 0.9090909091,
"accuracy": 0.9999156711,
"negative_predictive_value": 0.9999437554,
"num_true_positives": 15,
"num_false_positives": 1,
"num_true_negatives": 35557,
"num_false_... | {
"success": true,
"precision": 0.9076923077,
"recall": 0.8939393939,
"f1": 0.9007633588,
"accuracy": 0.9999086437,
"negative_predictive_value": 0.9999507857,
"num_true_positives": 59,
"num_false_positives": 6,
"num_true_negatives": 142228,
"num_false_negatives": 7,
"error": ""
} |
1_phosphatidyl_1D_myo_inositol.py | CHEBI:16749 | 1-phosphatidyl-1D-myo-inositol | {
"num_pos": 4,
"num_neg": 35571,
"status": "ok",
"success": true,
"precision": 0.05,
"recall": 1,
"f1": 0.0952380952,
"accuracy": 0.9978636683,
"negative_predictive_value": 1,
"num_true_positives": 4,
"num_false_positives": 76,
"num_true_negatives": 35495,
"num_false_negatives": 0,
"error":... | {
"success": true,
"precision": 0.0894039735,
"recall": 1,
"f1": 0.1641337386,
"accuracy": 0.9980674631,
"negative_predictive_value": 1,
"num_true_positives": 27,
"num_false_positives": 275,
"num_true_negatives": 141998,
"num_false_negatives": 0,
"error": ""
} |
2_5_diketopiperazines.py | CHEBI:65061 | 2,5-diketopiperazines | {
"num_pos": 13,
"num_neg": 35562,
"status": "ok",
"success": true,
"precision": 0.0572687225,
"recall": 1,
"f1": 0.1083333333,
"accuracy": 0.9939845397,
"negative_predictive_value": 1,
"num_true_positives": 13,
"num_false_positives": 214,
"num_true_negatives": 35348,
"num_false_negatives": 0,... | {
"success": true,
"precision": 0.0609896433,
"recall": 1,
"f1": 0.114967462,
"accuracy": 0.994265636,
"negative_predictive_value": 1,
"num_true_positives": 53,
"num_false_positives": 816,
"num_true_negatives": 141431,
"num_false_negatives": 0,
"error": ""
} |
2__deoxyribonucleoside_5__monophosphate.py | CHEBI:18241 | 2'-deoxyribonucleoside 5'-monophosphate | {
"num_pos": 7,
"num_neg": 35568,
"status": "ok",
"success": true,
"precision": 0.1944444444,
"recall": 1,
"f1": 0.3255813953,
"accuracy": 0.9991848208,
"negative_predictive_value": 1,
"num_true_positives": 7,
"num_false_positives": 29,
"num_true_negatives": 35539,
"num_false_negatives": 0,
... | {
"success": true,
"precision": 0.1267605634,
"recall": 0.72,
"f1": 0.2155688623,
"accuracy": 0.9990794097,
"negative_predictive_value": 0.999950759,
"num_true_positives": 18,
"num_false_positives": 124,
"num_true_negatives": 142151,
"num_false_negatives": 7,
"error": ""
} |
2_acyl_1_alkyl_sn_glycero_3_phosphocholine.py | CHEBI:36702 | 2-acyl-1-alkyl-sn-glycero-3-phosphocholine | {
"num_pos": 20,
"num_neg": 35555,
"status": "ok",
"success": true,
"precision": 0.8333333333,
"recall": 1,
"f1": 0.9090909091,
"accuracy": 0.9998875615,
"negative_predictive_value": 1,
"num_true_positives": 20,
"num_false_positives": 4,
"num_true_negatives": 35551,
"num_false_negatives": 0,
... | {
"success": true,
"precision": 0.4204545455,
"recall": 1,
"f1": 0.592,
"accuracy": 0.9996416022,
"negative_predictive_value": 1,
"num_true_positives": 37,
"num_false_positives": 51,
"num_true_negatives": 142212,
"num_false_negatives": 0,
"error": ""
} |
2_enoyl_CoA.py | CHEBI:19573 | 2-enoyl-CoA | {
"num_pos": 11,
"num_neg": 35564,
"status": "ok",
"success": true,
"precision": 0.1276595745,
"recall": 0.5454545455,
"f1": 0.2068965517,
"accuracy": 0.9987069571,
"negative_predictive_value": 0.9998592659,
"num_true_positives": 6,
"num_false_positives": 41,
"num_true_negatives": 35523,
"num_... | {
"success": true,
"precision": 0.1446280992,
"recall": 0.8139534884,
"f1": 0.2456140351,
"accuracy": 0.9984891075,
"negative_predictive_value": 0.999943685,
"num_true_positives": 35,
"num_false_positives": 207,
"num_true_negatives": 142050,
"num_false_negatives": 8,
"error": ""
} |
2_hydroxy_fatty_acid.py | CHEBI:10283 | 2-hydroxy fatty acid | {
"num_pos": 12,
"num_neg": 35563,
"status": "ok",
"success": true,
"precision": 0.8181818182,
"recall": 0.75,
"f1": 0.7826086957,
"accuracy": 0.9998594519,
"negative_predictive_value": 0.999915645,
"num_true_positives": 9,
"num_false_positives": 2,
"num_true_negatives": 35561,
"num_false_nega... | {
"success": true,
"precision": 0.7843137255,
"recall": 0.8510638298,
"f1": 0.8163265306,
"accuracy": 0.9998735067,
"negative_predictive_value": 0.9999507905,
"num_true_positives": 40,
"num_false_positives": 11,
"num_true_negatives": 142242,
"num_false_negatives": 7,
"error": ""
} |
2_hydroxydicarboxylic_acid.py | CHEBI:50263 | 2-hydroxydicarboxylic acid | {
"num_pos": 6,
"num_neg": 35569,
"status": "ok",
"success": true,
"precision": 0.6666666667,
"recall": 0.6666666667,
"f1": 0.6666666667,
"accuracy": 0.9998875615,
"negative_predictive_value": 0.9999437713,
"num_true_positives": 4,
"num_false_positives": 2,
"num_true_negatives": 35567,
"num_fa... | {
"success": true,
"precision": 0.5,
"recall": 0.72,
"f1": 0.5901639344,
"accuracy": 0.9998243148,
"negative_predictive_value": 0.9999507957,
"num_true_positives": 18,
"num_false_positives": 18,
"num_true_negatives": 142257,
"num_false_negatives": 7,
"error": ""
} |
2_monoglyceride.py | CHEBI:17389 | 2-monoglyceride | {
"num_pos": 8,
"num_neg": 35567,
"status": "ok",
"success": true,
"precision": 0.7,
"recall": 0.875,
"f1": 0.7777777778,
"accuracy": 0.9998875615,
"negative_predictive_value": 0.9999718825,
"num_true_positives": 7,
"num_false_positives": 3,
"num_true_negatives": 35564,
"num_false_negatives": ... | {
"success": true,
"precision": 0.7234042553,
"recall": 1,
"f1": 0.8395061728,
"accuracy": 0.9999086437,
"negative_predictive_value": 1,
"num_true_positives": 34,
"num_false_positives": 13,
"num_true_negatives": 142253,
"num_false_negatives": 0,
"error": ""
} |
2_oxo_monocarboxylic_acid.py | CHEBI:35910 | 2-oxo monocarboxylic acid | {
"num_pos": 22,
"num_neg": 35553,
"status": "ok",
"success": true,
"precision": 0.525,
"recall": 0.9545454545,
"f1": 0.6774193548,
"accuracy": 0.9994378074,
"negative_predictive_value": 0.9999718587,
"num_true_positives": 21,
"num_false_positives": 19,
"num_true_negatives": 35534,
"num_false_... | {
"success": true,
"precision": 0.497005988,
"recall": 0.902173913,
"f1": 0.6409266409,
"accuracy": 0.9993464512,
"negative_predictive_value": 0.999936679,
"num_true_positives": 83,
"num_false_positives": 84,
"num_true_negatives": 142124,
"num_false_negatives": 9,
"error": ""
} |
2_oxo_monocarboxylic_acid_anion.py | CHEBI:35179 | 2-oxo monocarboxylic acid anion | {
"num_pos": 25,
"num_neg": 35550,
"status": "ok",
"success": true,
"precision": 0.7142857143,
"recall": 1,
"f1": 0.8333333333,
"accuracy": 0.9997189037,
"negative_predictive_value": 1,
"num_true_positives": 25,
"num_false_positives": 10,
"num_true_negatives": 35540,
"num_false_negatives": 0,
... | {
"success": true,
"precision": 0.649122807,
"recall": 0.9367088608,
"f1": 0.7668393782,
"accuracy": 0.9996837667,
"negative_predictive_value": 0.9999648348,
"num_true_positives": 74,
"num_false_positives": 40,
"num_true_negatives": 142181,
"num_false_negatives": 5,
"error": ""
} |
3__hydroxyflavanones.py | CHEBI:48024 | 3'-hydroxyflavanones | {
"num_pos": 8,
"num_neg": 35567,
"status": "ok",
"success": true,
"precision": 0.2666666667,
"recall": 1,
"f1": 0.4210526316,
"accuracy": 0.9993815882,
"negative_predictive_value": 1,
"num_true_positives": 8,
"num_false_positives": 22,
"num_true_negatives": 35545,
"num_false_negatives": 0,
... | {
"success": true,
"precision": 0.2388059701,
"recall": 1,
"f1": 0.3855421687,
"accuracy": 0.9992832045,
"negative_predictive_value": 1,
"num_true_positives": 32,
"num_false_positives": 102,
"num_true_negatives": 142166,
"num_false_negatives": 0,
"error": ""
} |
3_hydroxy_fatty_acid.py | CHEBI:59845 | 3-hydroxy fatty acid | {
"num_pos": 10,
"num_neg": 35565,
"status": "ok",
"success": true,
"precision": 0.1232876712,
"recall": 0.9,
"f1": 0.2168674699,
"accuracy": 0.9981728742,
"negative_predictive_value": 0.9999718326,
"num_true_positives": 9,
"num_false_positives": 64,
"num_true_negatives": 35501,
"num_false_neg... | {
"success": true,
"precision": 0.1433121019,
"recall": 0.9375,
"f1": 0.2486187845,
"accuracy": 0.9980885453,
"negative_predictive_value": 0.9999788712,
"num_true_positives": 45,
"num_false_positives": 269,
"num_true_negatives": 141983,
"num_false_negatives": 3,
"error": ""
} |
3_hydroxy_fatty_acyl_CoA.py | CHEBI:20060 | 3-hydroxy fatty acyl-CoA | {
"num_pos": 13,
"num_neg": 35562,
"status": "ok",
"success": true,
"precision": 0.2727272727,
"recall": 0.9230769231,
"f1": 0.4210526316,
"accuracy": 0.9990723823,
"negative_predictive_value": 0.9999718556,
"num_true_positives": 12,
"num_false_positives": 32,
"num_true_negatives": 35530,
"num... | {
"success": true,
"precision": 0.2829268293,
"recall": 0.7733333333,
"f1": 0.4142857143,
"accuracy": 0.9988475053,
"negative_predictive_value": 0.9998803617,
"num_true_positives": 58,
"num_false_positives": 147,
"num_true_negatives": 142078,
"num_false_negatives": 17,
"error": ""
} |
3_hydroxy_fatty_acyl_CoA_4__.py | CHEBI:65102 | 3-hydroxy fatty acyl-CoA(4-) | {
"num_pos": 18,
"num_neg": 35557,
"status": "ok",
"success": true,
"precision": 0.6538461538,
"recall": 0.9444444444,
"f1": 0.7727272727,
"accuracy": 0.9997189037,
"negative_predictive_value": 0.9999718698,
"num_true_positives": 17,
"num_false_positives": 9,
"num_true_negatives": 35548,
"num_... | {
"success": true,
"precision": 0.6354166667,
"recall": 0.953125,
"f1": 0.7625,
"accuracy": 0.9997329585,
"negative_predictive_value": 0.9999789035,
"num_true_positives": 61,
"num_false_positives": 35,
"num_true_negatives": 142201,
"num_false_negatives": 3,
"error": ""
} |
3_oxo_5alpha_steroid.py | CHEBI:13601 | 3-oxo-5alpha-steroid | {
"num_pos": 12,
"num_neg": 35563,
"status": "ok",
"success": true,
"precision": 0.0195758564,
"recall": 1,
"f1": 0.0384,
"accuracy": 0.9831061138,
"negative_predictive_value": 1,
"num_true_positives": 12,
"num_false_positives": 601,
"num_true_negatives": 34962,
"num_false_negatives": 0,
"er... | {
"success": true,
"precision": 0.0214079868,
"recall": 1,
"f1": 0.0419185812,
"accuracy": 0.9832958538,
"negative_predictive_value": 1,
"num_true_positives": 52,
"num_false_positives": 2377,
"num_true_negatives": 139871,
"num_false_negatives": 0,
"error": ""
} |
3_oxo_5beta_steroid.py | CHEBI:1624 | 3-oxo-5beta-steroid | {
"num_pos": 2,
"num_neg": 35573,
"status": "ok",
"success": true,
"precision": 0.0040733198,
"recall": 1,
"f1": 0.0081135903,
"accuracy": 0.9862543921,
"negative_predictive_value": 1,
"num_true_positives": 2,
"num_false_positives": 489,
"num_true_negatives": 35084,
"num_false_negatives": 0,
... | {
"success": true,
"precision": 0.0123164377,
"recall": 0.962962963,
"f1": 0.0243217961,
"accuracy": 0.9853408292,
"negative_predictive_value": 0.9999928668,
"num_true_positives": 26,
"num_false_positives": 2085,
"num_true_negatives": 140188,
"num_false_negatives": 1,
"error": ""
} |
3_oxo_Delta_1__steroid.py | CHEBI:20156 | 3-oxo-Delta(1) steroid | {
"num_pos": 16,
"num_neg": 35559,
"status": "ok",
"success": true,
"precision": 0.0210280374,
"recall": 0.5625,
"f1": 0.0405405405,
"accuracy": 0.9880252987,
"negative_predictive_value": 0.9998008365,
"num_true_positives": 9,
"num_false_positives": 419,
"num_true_negatives": 35140,
"num_false... | {
"success": true,
"precision": 0.0325427468,
"recall": 0.7972972973,
"f1": 0.0625331214,
"accuracy": 0.9875685172,
"negative_predictive_value": 0.9998932286,
"num_true_positives": 59,
"num_false_positives": 1754,
"num_true_negatives": 140472,
"num_false_negatives": 15,
"error": ""
} |
3_oxo_Delta_4__steroid.py | CHEBI:47909 | 3-oxo-Delta(4) steroid | {
"num_pos": 52,
"num_neg": 35523,
"status": "ok",
"success": true,
"precision": 0.120649652,
"recall": 1,
"f1": 0.215320911,
"accuracy": 0.9893464512,
"negative_predictive_value": 1,
"num_true_positives": 52,
"num_false_positives": 379,
"num_true_negatives": 35144,
"num_false_negatives": 0,
... | {
"success": true,
"precision": 0.1142520612,
"recall": 0.9847715736,
"f1": 0.2047493404,
"accuracy": 0.9894096978,
"negative_predictive_value": 0.9999786632,
"num_true_positives": 194,
"num_false_positives": 1504,
"num_true_negatives": 140599,
"num_false_negatives": 3,
"error": ""
} |
3_oxo_fatty_acyl_CoA.py | CHEBI:15489 | 3-oxo-fatty acyl-CoA | {
"num_pos": 16,
"num_neg": 35559,
"status": "ok",
"success": true,
"precision": 0.5161290323,
"recall": 1,
"f1": 0.6808510638,
"accuracy": 0.9995783556,
"negative_predictive_value": 1,
"num_true_positives": 16,
"num_false_positives": 15,
"num_true_negatives": 35544,
"num_false_negatives": 0,
... | {
"success": true,
"precision": 0.5523809524,
"recall": 0.9830508475,
"f1": 0.7073170732,
"accuracy": 0.9996626845,
"negative_predictive_value": 0.9999929674,
"num_true_positives": 58,
"num_false_positives": 47,
"num_true_negatives": 142194,
"num_false_negatives": 1,
"error": ""
} |
3_oxo_fatty_acyl_CoA_4__.py | CHEBI:57347 | 3-oxo-fatty acyl-CoA(4-) | {
"num_pos": 10,
"num_neg": 35565,
"status": "ok",
"success": true,
"precision": 1,
"recall": 0.6,
"f1": 0.75,
"accuracy": 0.9998875615,
"negative_predictive_value": 0.9998875425,
"num_true_positives": 6,
"num_false_positives": 0,
"num_true_negatives": 35565,
"num_false_negatives": 4,
"error... | {
"success": true,
"precision": 0.9285714286,
"recall": 0.7358490566,
"f1": 0.8210526316,
"accuracy": 0.9998805341,
"negative_predictive_value": 0.9999015873,
"num_true_positives": 39,
"num_false_positives": 3,
"num_true_negatives": 142244,
"num_false_negatives": 14,
"error": ""
} |
3_oxo_steroid.py | CHEBI:47788 | 3-oxo steroid | {
"num_pos": 74,
"num_neg": 35501,
"status": "ok",
"success": true,
"precision": 0.1555023923,
"recall": 0.8783783784,
"f1": 0.2642276423,
"accuracy": 0.9898243148,
"negative_predictive_value": 0.9997440055,
"num_true_positives": 65,
"num_false_positives": 353,
"num_true_negatives": 35148,
"nu... | {
"success": true,
"precision": 0.1781445646,
"recall": 0.931547619,
"f1": 0.2990922121,
"accuracy": 0.9896907941,
"negative_predictive_value": 0.999836349,
"num_true_positives": 313,
"num_false_positives": 1444,
"num_true_negatives": 140520,
"num_false_negatives": 23,
"error": ""
} |
3_sn_phosphatidyl_L_serine.py | CHEBI:11750 | 3-sn-phosphatidyl-L-serine | {
"num_pos": 4,
"num_neg": 35571,
"status": "ok",
"success": true,
"precision": 0.0555555556,
"recall": 1,
"f1": 0.1052631579,
"accuracy": 0.9980885453,
"negative_predictive_value": 1,
"num_true_positives": 4,
"num_false_positives": 68,
"num_true_negatives": 35503,
"num_false_negatives": 0,
... | {
"success": true,
"precision": 0.073964497,
"recall": 1,
"f1": 0.1377410468,
"accuracy": 0.9978004216,
"negative_predictive_value": 1,
"num_true_positives": 25,
"num_false_positives": 313,
"num_true_negatives": 141962,
"num_false_negatives": 0,
"error": ""
} |
3_substituted_propionyl_CoA_4__.py | CHEBI:65111 | 3-substituted propionyl-CoA(4-) | {
"num_pos": 7,
"num_neg": 35568,
"status": "ok",
"success": true,
"precision": 0.1794871795,
"recall": 1,
"f1": 0.3043478261,
"accuracy": 0.9991004919,
"negative_predictive_value": 1,
"num_true_positives": 7,
"num_false_positives": 32,
"num_true_negatives": 35536,
"num_false_negatives": 0,
... | {
"success": true,
"precision": 0.1475409836,
"recall": 0.9,
"f1": 0.2535211268,
"accuracy": 0.9988826423,
"negative_predictive_value": 0.9999788906,
"num_true_positives": 27,
"num_false_positives": 156,
"num_true_negatives": 142114,
"num_false_negatives": 3,
"error": ""
} |
3alpha_hydroxy_steroid.py | CHEBI:36835 | 3alpha-hydroxy steroid | {
"num_pos": 43,
"num_neg": 35532,
"status": "ok",
"success": true,
"precision": 0.1111111111,
"recall": 0.0465116279,
"f1": 0.0655737705,
"accuracy": 0.9983977512,
"negative_predictive_value": 0.9988469218,
"num_true_positives": 2,
"num_false_positives": 16,
"num_true_negatives": 35516,
"num_... | {
"success": true,
"precision": 0.0909090909,
"recall": 0.0659340659,
"f1": 0.076433121,
"accuracy": 0.998981026,
"negative_predictive_value": 0.9994023932,
"num_true_positives": 6,
"num_false_positives": 60,
"num_true_negatives": 142149,
"num_false_negatives": 85,
"error": ""
} |
3beta_hydroxy_Delta_5__steroid.py | CHEBI:1722 | 3beta-hydroxy-Delta(5)-steroid | {
"num_pos": 23,
"num_neg": 35552,
"status": "ok",
"success": true,
"precision": 0.044834308,
"recall": 1,
"f1": 0.0858208955,
"accuracy": 0.9862262825,
"negative_predictive_value": 1,
"num_true_positives": 23,
"num_false_positives": 490,
"num_true_negatives": 35062,
"num_false_negatives": 0,
... | {
"success": true,
"precision": 0.0408745247,
"recall": 0.9347826087,
"f1": 0.0783242259,
"accuracy": 0.9857765285,
"negative_predictive_value": 0.9999572028,
"num_true_positives": 86,
"num_false_positives": 2018,
"num_true_negatives": 140190,
"num_false_negatives": 6,
"error": ""
} |
3beta_hydroxy_steroid.py | CHEBI:36836 | 3beta-hydroxy steroid | {
"num_pos": 76,
"num_neg": 35499,
"status": "ok",
"success": true,
"precision": 0.069,
"recall": 0.9078947368,
"f1": 0.1282527881,
"accuracy": 0.9736331694,
"negative_predictive_value": 0.9997975416,
"num_true_positives": 69,
"num_false_positives": 931,
"num_true_negatives": 34568,
"num_false... | {
"success": true,
"precision": 0.0688946015,
"recall": 0.8933333333,
"f1": 0.1279236277,
"accuracy": 0.9743218552,
"negative_predictive_value": 0.9997688028,
"num_true_positives": 268,
"num_false_positives": 3622,
"num_true_negatives": 138378,
"num_false_negatives": 32,
"error": ""
} |
4__hydroxyflavanones.py | CHEBI:140331 | 4'-hydroxyflavanones | {
"num_pos": 19,
"num_neg": 35556,
"status": "ok",
"success": true,
"precision": 0.28,
"recall": 0.7368421053,
"f1": 0.4057971014,
"accuracy": 0.9988475053,
"negative_predictive_value": 0.999859254,
"num_true_positives": 14,
"num_false_positives": 36,
"num_true_negatives": 35520,
"num_false_ne... | {
"success": true,
"precision": 0.3140096618,
"recall": 0.8125,
"f1": 0.4529616725,
"accuracy": 0.9988966971,
"negative_predictive_value": 0.9998944353,
"num_true_positives": 65,
"num_false_positives": 142,
"num_true_negatives": 142078,
"num_false_negatives": 15,
"error": ""
} |
6_aminopurines.py | CHEBI:20706 | 6-aminopurines | {
"num_pos": 133,
"num_neg": 35442,
"status": "ok",
"success": true,
"precision": 0.2490272374,
"recall": 0.962406015,
"f1": 0.3956723338,
"accuracy": 0.9890091356,
"negative_predictive_value": 0.9998573914,
"num_true_positives": 128,
"num_false_positives": 386,
"num_true_negatives": 35056,
"n... | {
"success": true,
"precision": 0.2968261064,
"recall": 0.9793510324,
"f1": 0.4555746141,
"accuracy": 0.9888475053,
"negative_predictive_value": 0.999900045,
"num_true_positives": 664,
"num_false_positives": 1573,
"num_true_negatives": 140049,
"num_false_negatives": 14,
"error": ""
} |
7_hydroxyisoflavones.py | CHEBI:55465 | 7-hydroxyisoflavones | {
"num_pos": 11,
"num_neg": 35564,
"status": "ok",
"success": true,
"precision": 0.1089108911,
"recall": 1,
"f1": 0.1964285714,
"accuracy": 0.9974701335,
"negative_predictive_value": 1,
"num_true_positives": 11,
"num_false_positives": 90,
"num_true_negatives": 35474,
"num_false_negatives": 0,
... | {
"success": true,
"precision": 0.0786516854,
"recall": 0.9333333333,
"f1": 0.1450777202,
"accuracy": 0.9976809557,
"negative_predictive_value": 0.9999859099,
"num_true_positives": 28,
"num_false_positives": 328,
"num_true_negatives": 141942,
"num_false_negatives": 2,
"error": ""
} |
B_vitamin.py | CHEBI:75769 | B vitamin | {
"num_pos": 17,
"num_neg": 35558,
"status": "ok",
"success": true,
"precision": 0.3548387097,
"recall": 0.6470588235,
"f1": 0.4583333333,
"accuracy": 0.9992691497,
"negative_predictive_value": 0.9998311951,
"num_true_positives": 11,
"num_false_positives": 20,
"num_true_negatives": 35538,
"num... | {
"success": true,
"precision": 0.2678571429,
"recall": 0.5294117647,
"f1": 0.3557312253,
"accuracy": 0.9988545327,
"negative_predictive_value": 0.9997185715,
"num_true_positives": 45,
"num_false_positives": 123,
"num_true_negatives": 142092,
"num_false_negatives": 40,
"error": ""
} |
CDP_diacylglycerol.py | CHEBI:17962 | CDP-diacylglycerol | {
"num_pos": 10,
"num_neg": 35565,
"status": "ok",
"success": true,
"precision": 0.9090909091,
"recall": 1,
"f1": 0.9523809524,
"accuracy": 0.9999718904,
"negative_predictive_value": 1,
"num_true_positives": 10,
"num_false_positives": 1,
"num_true_negatives": 35564,
"num_false_negatives": 0,
... | {
"success": true,
"precision": 0.8333333333,
"recall": 1,
"f1": 0.9090909091,
"accuracy": 0.9999437807,
"negative_predictive_value": 1,
"num_true_positives": 40,
"num_false_positives": 8,
"num_true_negatives": 142252,
"num_false_negatives": 0,
"error": ""
} |
D_glucoside.py | CHEBI:35436 | D-glucoside | {
"num_pos": 154,
"num_neg": 35421,
"status": "ok",
"success": true,
"precision": 0.05078125,
"recall": 0.7597402597,
"f1": 0.0951993491,
"accuracy": 0.9374841883,
"negative_predictive_value": 0.9988879204,
"num_true_positives": 117,
"num_false_positives": 2187,
"num_true_negatives": 33234,
"n... | {
"success": true,
"precision": 0.0504238209,
"recall": 0.774624374,
"f1": 0.0946842159,
"accuracy": 0.9376458187,
"negative_predictive_value": 0.9989857098,
"num_true_positives": 464,
"num_false_positives": 8738,
"num_true_negatives": 132963,
"num_false_negatives": 135,
"error": ""
} |
D_hexose.py | CHEBI:4194 | D-hexose | {
"num_pos": 10,
"num_neg": 35565,
"status": "ok",
"success": true,
"precision": 0.5714285714,
"recall": 0.4,
"f1": 0.4705882353,
"accuracy": 0.9997470134,
"negative_predictive_value": 0.999831309,
"num_true_positives": 4,
"num_false_positives": 3,
"num_true_negatives": 35562,
"num_false_negat... | {
"success": true,
"precision": 0.6363636364,
"recall": 0.488372093,
"f1": 0.5526315789,
"accuracy": 0.9997610682,
"negative_predictive_value": 0.9998453612,
"num_true_positives": 21,
"num_false_positives": 12,
"num_true_negatives": 142245,
"num_false_negatives": 22,
"error": ""
} |
L_alpha_amino_acid.py | CHEBI:15705 | L-alpha-amino acid | {
"num_pos": 89,
"num_neg": 35486,
"status": "ok",
"success": true,
"precision": 0.2296819788,
"recall": 0.7303370787,
"f1": 0.3494623656,
"accuracy": 0.9931974701,
"negative_predictive_value": 0.9993199592,
"num_true_positives": 65,
"num_false_positives": 218,
"num_true_negatives": 35268,
"nu... | {
"success": true,
"precision": 0.2245236123,
"recall": 0.7787356322,
"f1": 0.3485530547,
"accuracy": 0.9928812368,
"negative_predictive_value": 0.9994542607,
"num_true_positives": 271,
"num_false_positives": 936,
"num_true_negatives": 141016,
"num_false_negatives": 77,
"error": ""
} |
N_acetyl_amino_acid.py | CHEBI:21575 | N-acetyl-amino acid | {
"num_pos": 9,
"num_neg": 35566,
"status": "ok",
"success": true,
"precision": 0.2162162162,
"recall": 0.8888888889,
"f1": 0.347826087,
"accuracy": 0.9991567112,
"negative_predictive_value": 0.9999718611,
"num_true_positives": 8,
"num_false_positives": 29,
"num_true_negatives": 35537,
"num_fa... | {
"success": true,
"precision": 0.237804878,
"recall": 0.8666666667,
"f1": 0.3732057416,
"accuracy": 0.9990794097,
"negative_predictive_value": 0.9999577869,
"num_true_positives": 39,
"num_false_positives": 125,
"num_true_negatives": 142130,
"num_false_negatives": 6,
"error": ""
} |
N_acyl_L_alpha_amino_acid.py | CHEBI:48927 | N-acyl-L-alpha-amino acid | {
"num_pos": 10,
"num_neg": 35565,
"status": "ok",
"success": true,
"precision": 0.0172744722,
"recall": 0.9,
"f1": 0.0338983051,
"accuracy": 0.9855797611,
"negative_predictive_value": 0.9999714726,
"num_true_positives": 9,
"num_false_positives": 512,
"num_true_negatives": 35053,
"num_false_ne... | {
"success": true,
"precision": 0.0151650312,
"recall": 0.7555555556,
"f1": 0.029733275,
"accuracy": 0.9844061841,
"negative_predictive_value": 0.9999214611,
"num_true_positives": 34,
"num_false_positives": 2208,
"num_true_negatives": 140047,
"num_false_negatives": 11,
"error": ""
} |
N_acylglycine.py | CHEBI:16180 | N-acylglycine | {
"num_pos": 28,
"num_neg": 35547,
"status": "ok",
"success": true,
"precision": 0.2314814815,
"recall": 0.8928571429,
"f1": 0.3676470588,
"accuracy": 0.997582572,
"negative_predictive_value": 0.9999154143,
"num_true_positives": 25,
"num_false_positives": 83,
"num_true_negatives": 35464,
"num_... | {
"success": true,
"precision": 0.1618798956,
"recall": 0.7209302326,
"f1": 0.2643923241,
"accuracy": 0.9975755446,
"negative_predictive_value": 0.9998308871,
"num_true_positives": 62,
"num_false_positives": 321,
"num_true_negatives": 141893,
"num_false_negatives": 24,
"error": ""
} |
N_acylphytosphingosine.py | CHEBI:31998 | N-acylphytosphingosine | {
"num_pos": 18,
"num_neg": 35557,
"status": "ok",
"success": true,
"precision": 0.4210526316,
"recall": 0.4444444444,
"f1": 0.4324324324,
"accuracy": 0.9994096978,
"negative_predictive_value": 0.9997187535,
"num_true_positives": 8,
"num_false_positives": 11,
"num_true_negatives": 35546,
"num_... | {
"success": true,
"precision": 0.6049382716,
"recall": 0.5212765957,
"f1": 0.56,
"accuracy": 0.9994588897,
"negative_predictive_value": 0.9996835866,
"num_true_positives": 49,
"num_false_positives": 32,
"num_true_negatives": 142174,
"num_false_negatives": 45,
"error": ""
} |
N_acylsphinganine.py | CHEBI:31488 | N-acylsphinganine | {
"num_pos": 8,
"num_neg": 35567,
"status": "ok",
"success": true,
"precision": 0.4285714286,
"recall": 0.75,
"f1": 0.5454545455,
"accuracy": 0.9997189037,
"negative_predictive_value": 0.9999437586,
"num_true_positives": 6,
"num_false_positives": 8,
"num_true_negatives": 35559,
"num_false_nega... | {
"success": true,
"precision": 0.3692307692,
"recall": 0.7058823529,
"f1": 0.4848484848,
"accuracy": 0.9996416022,
"negative_predictive_value": 0.9999296938,
"num_true_positives": 24,
"num_false_positives": 41,
"num_true_negatives": 142225,
"num_false_negatives": 10,
"error": ""
} |
N_acylsphingosine.py | CHEBI:52639 | N-acylsphingosine | {
"num_pos": 9,
"num_neg": 35566,
"status": "ok",
"success": true,
"precision": 0.1323529412,
"recall": 1,
"f1": 0.2337662338,
"accuracy": 0.998341532,
"negative_predictive_value": 1,
"num_true_positives": 9,
"num_false_positives": 59,
"num_true_negatives": 35507,
"num_false_negatives": 0,
"... | {
"success": true,
"precision": 0.1152073733,
"recall": 0.9259259259,
"f1": 0.2049180328,
"accuracy": 0.9986366831,
"negative_predictive_value": 0.9999859237,
"num_true_positives": 25,
"num_false_positives": 192,
"num_true_negatives": 142081,
"num_false_negatives": 2,
"error": ""
} |
N_hydroxy_alpha_amino_acid.py | CHEBI:50760 | N-hydroxy-alpha-amino-acid | {
"num_pos": 10,
"num_neg": 35565,
"status": "ok",
"success": true,
"precision": 0.7272727273,
"recall": 0.8,
"f1": 0.7619047619,
"accuracy": 0.9998594519,
"negative_predictive_value": 0.9999437634,
"num_true_positives": 8,
"num_false_positives": 3,
"num_true_negatives": 35562,
"num_false_nega... | {
"success": true,
"precision": 0.8461538462,
"recall": 0.7096774194,
"f1": 0.7719298246,
"accuracy": 0.9999086437,
"negative_predictive_value": 0.9999367418,
"num_true_positives": 22,
"num_false_positives": 4,
"num_true_negatives": 142265,
"num_false_negatives": 9,
"error": ""
} |
N_sulfonylurea.py | CHEBI:76983 | N-sulfonylurea | {
"num_pos": 12,
"num_neg": 35563,
"status": "ok",
"success": true,
"precision": 0.5555555556,
"recall": 0.8333333333,
"f1": 0.6666666667,
"accuracy": 0.9997189037,
"negative_predictive_value": 0.9999437523,
"num_true_positives": 10,
"num_false_positives": 8,
"num_true_negatives": 35555,
"num_... | {
"success": true,
"precision": 0.4459459459,
"recall": 0.9166666667,
"f1": 0.6,
"accuracy": 0.9996907941,
"negative_predictive_value": 0.9999789068,
"num_true_positives": 33,
"num_false_positives": 41,
"num_true_negatives": 142223,
"num_false_negatives": 3,
"error": ""
} |
O_acyl_L_carnitine.py | CHEBI:75659 | O-acyl-L-carnitine | {
"num_pos": 16,
"num_neg": 35559,
"status": "ok",
"success": true,
"precision": 0.7142857143,
"recall": 0.9375,
"f1": 0.8108108108,
"accuracy": 0.9998032326,
"negative_predictive_value": 0.9999718738,
"num_true_positives": 15,
"num_false_positives": 6,
"num_true_negatives": 35553,
"num_false_... | {
"success": true,
"precision": 0.6428571429,
"recall": 0.9473684211,
"f1": 0.7659574468,
"accuracy": 0.999845397,
"negative_predictive_value": 0.9999859397,
"num_true_positives": 36,
"num_false_positives": 20,
"num_true_negatives": 142242,
"num_false_negatives": 2,
"error": ""
} |
UDP_sugar.py | CHEBI:17297 | UDP-sugar | {
"num_pos": 18,
"num_neg": 35557,
"status": "ok",
"success": true,
"precision": 0.2307692308,
"recall": 1,
"f1": 0.375,
"accuracy": 0.9983134223,
"negative_predictive_value": 1,
"num_true_positives": 18,
"num_false_positives": 60,
"num_true_negatives": 35497,
"num_false_negatives": 0,
"erro... | {
"success": true,
"precision": 0.2066666667,
"recall": 1,
"f1": 0.3425414365,
"accuracy": 0.9983274772,
"negative_predictive_value": 1,
"num_true_positives": 62,
"num_false_positives": 238,
"num_true_negatives": 142000,
"num_false_negatives": 0,
"error": ""
} |
acetate_ester.py | CHEBI:47622 | acetate ester | {
"num_pos": 124,
"num_neg": 35451,
"status": "ok",
"success": true,
"precision": 0.125382263,
"recall": 0.9919354839,
"f1": 0.2226244344,
"accuracy": 0.9758538299,
"negative_predictive_value": 0.9999710933,
"num_true_positives": 123,
"num_false_positives": 858,
"num_true_negatives": 34593,
"n... | {
"success": true,
"precision": 0.1366691561,
"recall": 0.9909747292,
"f1": 0.2402100197,
"accuracy": 0.9755938159,
"negative_predictive_value": 0.9999638423,
"num_true_positives": 549,
"num_false_positives": 3468,
"num_true_negatives": 138278,
"num_false_negatives": 5,
"error": ""
} |
acrovestone.py | CHEBI:2440 | acrovestone | {
"num_pos": 19,
"num_neg": 35556,
"status": "ok",
"success": true,
"precision": 0.002016129,
"recall": 0.0526315789,
"f1": 0.0038834951,
"accuracy": 0.9855797611,
"negative_predictive_value": 0.9994868725,
"num_true_positives": 1,
"num_false_positives": 495,
"num_true_negatives": 35061,
"num_... | {
"success": true,
"precision": 0.0014051522,
"recall": 0.0352941176,
"f1": 0.0027027027,
"accuracy": 0.9844413212,
"negative_predictive_value": 0.9994149752,
"num_true_positives": 3,
"num_false_positives": 2132,
"num_true_negatives": 140083,
"num_false_negatives": 82,
"error": ""
} |
acyl_CoA.py | CHEBI:17984 | acyl-CoA | {
"num_pos": 122,
"num_neg": 35453,
"status": "ok",
"success": true,
"precision": 0.3666666667,
"recall": 0.9918032787,
"f1": 0.5353982301,
"accuracy": 0.9940969782,
"negative_predictive_value": 0.9999716272,
"num_true_positives": 121,
"num_false_positives": 209,
"num_true_negatives": 35244,
"... | {
"success": true,
"precision": 0.4311864407,
"recall": 0.9968652038,
"f1": 0.6019876952,
"accuracy": 0.9940899508,
"negative_predictive_value": 0.999985798,
"num_true_positives": 636,
"num_false_positives": 839,
"num_true_negatives": 140823,
"num_false_negatives": 2,
"error": ""
} |
aldehyde.py | CHEBI:17478 | aldehyde | {
"num_pos": 210,
"num_neg": 35365,
"status": "ok",
"success": true,
"precision": 0.388372093,
"recall": 0.7952380952,
"f1": 0.521875,
"accuracy": 0.991398454,
"negative_predictive_value": 0.9987764974,
"num_true_positives": 167,
"num_false_positives": 263,
"num_true_negatives": 35102,
"num_fa... | {
"success": true,
"precision": 0.3731606828,
"recall": 0.8045685279,
"f1": 0.5098512264,
"accuracy": 0.991433591,
"negative_predictive_value": 0.998904702,
"num_true_positives": 634,
"num_false_positives": 1065,
"num_true_negatives": 140447,
"num_false_negatives": 154,
"error": ""
} |
alditol.py | CHEBI:17522 | alditol | {
"num_pos": 20,
"num_neg": 35555,
"status": "ok",
"success": true,
"precision": 1,
"recall": 0.35,
"f1": 0.5185185185,
"accuracy": 0.9996345748,
"negative_predictive_value": 0.9996345029,
"num_true_positives": 7,
"num_false_positives": 0,
"num_true_negatives": 35555,
"num_false_negatives": 13... | {
"success": true,
"precision": 0.9523809524,
"recall": 0.2702702703,
"f1": 0.4210526316,
"accuracy": 0.9996134926,
"negative_predictive_value": 0.999620464,
"num_true_positives": 20,
"num_false_positives": 1,
"num_true_negatives": 142225,
"num_false_negatives": 54,
"error": ""
} |
aldopentose.py | CHEBI:33916 | aldopentose | {
"num_pos": 15,
"num_neg": 35560,
"status": "ok",
"success": true,
"precision": 0.9375,
"recall": 1,
"f1": 0.9677419355,
"accuracy": 0.9999718904,
"negative_predictive_value": 1,
"num_true_positives": 15,
"num_false_positives": 1,
"num_true_negatives": 35559,
"num_false_negatives": 0,
"erro... | {
"success": true,
"precision": 0.8039215686,
"recall": 0.9534883721,
"f1": 0.8723404255,
"accuracy": 0.9999156711,
"negative_predictive_value": 0.9999859401,
"num_true_positives": 41,
"num_false_positives": 10,
"num_true_negatives": 142247,
"num_false_negatives": 2,
"error": ""
} |
aldose.py | CHEBI:15693 | aldose | {
"num_pos": 55,
"num_neg": 35520,
"status": "ok",
"success": true,
"precision": 0.7534246575,
"recall": 1,
"f1": 0.859375,
"accuracy": 0.9994940267,
"negative_predictive_value": 1,
"num_true_positives": 55,
"num_false_positives": 18,
"num_true_negatives": 35502,
"num_false_negatives": 0,
"e... | {
"success": true,
"precision": 0.7317073171,
"recall": 0.989010989,
"f1": 0.8411214953,
"accuracy": 0.9995221363,
"negative_predictive_value": 0.9999859208,
"num_true_positives": 180,
"num_false_positives": 66,
"num_true_negatives": 142052,
"num_false_negatives": 2,
"error": ""
} |
aldoxime.py | CHEBI:22307 | aldoxime | {
"num_pos": 14,
"num_neg": 35561,
"status": "ok",
"success": true,
"precision": 0.7647058824,
"recall": 0.9285714286,
"f1": 0.8387096774,
"accuracy": 0.9998594519,
"negative_predictive_value": 0.9999718769,
"num_true_positives": 13,
"num_false_positives": 4,
"num_true_negatives": 35557,
"num_... | {
"success": true,
"precision": 0.64,
"recall": 0.9795918367,
"f1": 0.7741935484,
"accuracy": 0.9998032326,
"negative_predictive_value": 0.9999929689,
"num_true_positives": 48,
"num_false_positives": 27,
"num_true_negatives": 142224,
"num_false_negatives": 1,
"error": ""
} |
aliphatic_alcohol.py | CHEBI:2571 | aliphatic alcohol | {
"num_pos": 171,
"num_neg": 35404,
"status": "ok",
"success": true,
"precision": 0.1061643836,
"recall": 0.5438596491,
"f1": 0.1776504298,
"accuracy": 0.9757976107,
"negative_predictive_value": 0.9977520966,
"num_true_positives": 93,
"num_false_positives": 783,
"num_true_negatives": 34621,
"n... | {
"success": true,
"precision": 0.1103629977,
"recall": 0.5157318741,
"f1": 0.1818181818,
"accuracy": 0.9761560084,
"negative_predictive_value": 0.9974511103,
"num_true_positives": 377,
"num_false_positives": 3039,
"num_true_negatives": 138530,
"num_false_negatives": 354,
"error": ""
} |
aliphatic_aldoxime.py | CHEBI:82744 | aliphatic aldoxime | {
"num_pos": 6,
"num_neg": 35569,
"status": "ok",
"success": true,
"precision": 1,
"recall": 1,
"f1": 1,
"accuracy": 1,
"negative_predictive_value": 1,
"num_true_positives": 6,
"num_false_positives": 0,
"num_true_negatives": 35569,
"num_false_negatives": 0,
"error": ""
} | {
"success": true,
"precision": 0.92,
"recall": 1,
"f1": 0.9583333333,
"accuracy": 0.9999859452,
"negative_predictive_value": 1,
"num_true_positives": 23,
"num_false_positives": 2,
"num_true_negatives": 142275,
"num_false_negatives": 0,
"error": ""
} |
aliphatic_nitrile.py | CHEBI:80291 | aliphatic nitrile | {
"num_pos": 9,
"num_neg": 35566,
"status": "ok",
"success": true,
"precision": 0.3846153846,
"recall": 0.5555555556,
"f1": 0.4545454545,
"accuracy": 0.9996626845,
"negative_predictive_value": 0.9998875204,
"num_true_positives": 5,
"num_false_positives": 8,
"num_true_negatives": 35558,
"num_fa... | {
"success": true,
"precision": 0.3709677419,
"recall": 0.7419354839,
"f1": 0.4946236559,
"accuracy": 0.9996697119,
"negative_predictive_value": 0.9999437562,
"num_true_positives": 23,
"num_false_positives": 39,
"num_true_negatives": 142230,
"num_false_negatives": 8,
"error": ""
} |
alkaloid.py | CHEBI:22315 | alkaloid | {
"num_pos": 549,
"num_neg": 35026,
"status": "ok",
"success": true,
"precision": 0.140637776,
"recall": 0.3132969035,
"f1": 0.1941309255,
"accuracy": 0.9598594519,
"negative_predictive_value": 0.9890253843,
"num_true_positives": 172,
"num_false_positives": 1051,
"num_true_negatives": 33975,
"... | {
"success": true,
"precision": 0.1372226787,
"recall": 0.3058608059,
"f1": 0.1894498015,
"accuracy": 0.9598313422,
"negative_predictive_value": 0.9889690902,
"num_true_positives": 668,
"num_false_positives": 4200,
"num_true_negatives": 135916,
"num_false_negatives": 1516,
"error": ""
} |
alkane.py | CHEBI:18310 | alkane | {
"num_pos": 29,
"num_neg": 35546,
"status": "ok",
"success": true,
"precision": 0.8787878788,
"recall": 1,
"f1": 0.935483871,
"accuracy": 0.9998875615,
"negative_predictive_value": 1,
"num_true_positives": 29,
"num_false_positives": 4,
"num_true_negatives": 35542,
"num_false_negatives": 0,
... | {
"success": true,
"precision": 0.9734513274,
"recall": 0.990990991,
"f1": 0.9821428571,
"accuracy": 0.9999718904,
"negative_predictive_value": 0.999992967,
"num_true_positives": 110,
"num_false_positives": 3,
"num_true_negatives": 142186,
"num_false_negatives": 1,
"error": ""
} |
alkanesulfonate_oxoanion.py | CHEBI:134249 | alkanesulfonate oxoanion | {
"num_pos": 9,
"num_neg": 35566,
"status": "ok",
"success": true,
"precision": 0.3181818182,
"recall": 0.7777777778,
"f1": 0.4516129032,
"accuracy": 0.9995221363,
"negative_predictive_value": 0.999943746,
"num_true_positives": 7,
"num_false_positives": 15,
"num_true_negatives": 35551,
"num_fa... | {
"success": true,
"precision": 0.2735849057,
"recall": 0.8787878788,
"f1": 0.4172661871,
"accuracy": 0.99943078,
"negative_predictive_value": 0.9999718694,
"num_true_positives": 29,
"num_false_positives": 77,
"num_true_negatives": 142190,
"num_false_negatives": 4,
"error": ""
} |
alkanethiol.py | CHEBI:47908 | alkanethiol | {
"num_pos": 9,
"num_neg": 35566,
"status": "ok",
"success": true,
"precision": 0.7777777778,
"recall": 0.7777777778,
"f1": 0.7777777778,
"accuracy": 0.9998875615,
"negative_predictive_value": 0.9999437665,
"num_true_positives": 7,
"num_false_positives": 2,
"num_true_negatives": 35564,
"num_fa... | {
"success": true,
"precision": 0.5777777778,
"recall": 0.7428571429,
"f1": 0.65,
"accuracy": 0.9998032326,
"negative_predictive_value": 0.9999367333,
"num_true_positives": 26,
"num_false_positives": 19,
"num_true_negatives": 142246,
"num_false_negatives": 9,
"error": ""
} |
alkene.py | CHEBI:32878 | alkene | {
"num_pos": 8,
"num_neg": 35567,
"status": "ok",
"success": true,
"precision": 0.35,
"recall": 0.875,
"f1": 0.5,
"accuracy": 0.9996064652,
"negative_predictive_value": 0.9999718746,
"num_true_positives": 7,
"num_false_positives": 13,
"num_true_negatives": 35554,
"num_false_negatives": 1,
"e... | {
"success": true,
"precision": 0.59375,
"recall": 0.9661016949,
"f1": 0.735483871,
"accuracy": 0.9997118763,
"negative_predictive_value": 0.9999859357,
"num_true_positives": 57,
"num_false_positives": 39,
"num_true_negatives": 142202,
"num_false_negatives": 2,
"error": ""
} |
alpha_amino_acid.py | CHEBI:33704 | alpha-amino acid | {
"num_pos": 196,
"num_neg": 35379,
"status": "ok",
"success": true,
"precision": 0.3523809524,
"recall": 0.7551020408,
"f1": 0.4805194805,
"accuracy": 0.9910049192,
"negative_predictive_value": 0.9986346181,
"num_true_positives": 148,
"num_false_positives": 272,
"num_true_negatives": 35107,
"... | {
"success": true,
"precision": 0.3754874652,
"recall": 0.7782909931,
"f1": 0.506576475,
"accuracy": 0.9907730148,
"negative_predictive_value": 0.9986335006,
"num_true_positives": 674,
"num_false_positives": 1121,
"num_true_negatives": 140313,
"num_false_negatives": 192,
"error": ""
} |
alpha_amino_acid_ester.py | CHEBI:46874 | alpha-amino acid ester | {
"num_pos": 48,
"num_neg": 35527,
"status": "ok",
"success": true,
"precision": 0.3205128205,
"recall": 0.5208333333,
"f1": 0.3968253968,
"accuracy": 0.9978636683,
"negative_predictive_value": 0.9993520579,
"num_true_positives": 25,
"num_false_positives": 53,
"num_true_negatives": 35474,
"num... | {
"success": true,
"precision": 0.3504823151,
"recall": 0.4618644068,
"f1": 0.3985374771,
"accuracy": 0.9976879831,
"negative_predictive_value": 0.9991055645,
"num_true_positives": 109,
"num_false_positives": 202,
"num_true_negatives": 141862,
"num_false_negatives": 127,
"error": ""
} |
alpha_amino_acid_zwitterion.py | CHEBI:78608 | alpha-amino-acid zwitterion | {
"num_pos": 17,
"num_neg": 35558,
"status": "ok",
"success": true,
"precision": 0.3617021277,
"recall": 1,
"f1": 0.53125,
"accuracy": 0.9991567112,
"negative_predictive_value": 1,
"num_true_positives": 17,
"num_false_positives": 30,
"num_true_negatives": 35528,
"num_false_negatives": 0,
"er... | {
"success": true,
"precision": 0.2755905512,
"recall": 0.8536585366,
"f1": 0.4166666667,
"accuracy": 0.9986226283,
"negative_predictive_value": 0.9999155203,
"num_true_positives": 70,
"num_false_positives": 184,
"num_true_negatives": 142034,
"num_false_negatives": 12,
"error": ""
} |
alpha_hydroxy_ketone.py | CHEBI:139588 | alpha-hydroxy ketone | {
"num_pos": 99,
"num_neg": 35476,
"status": "ok",
"success": true,
"precision": 0.1106145251,
"recall": 1,
"f1": 0.199195171,
"accuracy": 0.9776247365,
"negative_predictive_value": 1,
"num_true_positives": 99,
"num_false_positives": 796,
"num_true_negatives": 34680,
"num_false_negatives": 0,
... | {
"success": true,
"precision": 0.124382716,
"recall": 0.9901719902,
"f1": 0.2210035646,
"accuracy": 0.980035137,
"negative_predictive_value": 0.9999712354,
"num_true_positives": 403,
"num_false_positives": 2837,
"num_true_negatives": 139056,
"num_false_negatives": 4,
"error": ""
} |
amine.py | CHEBI:32952 | amine | {
"num_pos": 179,
"num_neg": 35396,
"status": "ok",
"success": true,
"precision": 0.0317524116,
"recall": 0.4413407821,
"f1": 0.0592425947,
"accuracy": 0.9294729445,
"negative_predictive_value": 0.9969776649,
"num_true_positives": 79,
"num_false_positives": 2409,
"num_true_negatives": 32987,
"... | {
"success": true,
"precision": 0.0327152704,
"recall": 0.4948604993,
"f1": 0.0613731561,
"accuracy": 0.9275614898,
"negative_predictive_value": 0.9973939197,
"num_true_positives": 337,
"num_false_positives": 9964,
"num_true_negatives": 131655,
"num_false_negatives": 344,
"error": ""
} |
amino_acid.py | CHEBI:33709 | amino acid | {
"num_pos": 273,
"num_neg": 35302,
"status": "ok",
"success": true,
"precision": 0.3107569721,
"recall": 0.8571428571,
"f1": 0.4561403509,
"accuracy": 0.9843148278,
"negative_predictive_value": 0.9988800184,
"num_true_positives": 234,
"num_false_positives": 519,
"num_true_negatives": 34783,
"... | {
"success": true,
"precision": 0.2944373402,
"recall": 0.8297297297,
"f1": 0.4346389807,
"accuracy": 0.9831623331,
"negative_predictive_value": 0.9986419682,
"num_true_positives": 921,
"num_false_positives": 2207,
"num_true_negatives": 138983,
"num_false_negatives": 189,
"error": ""
} |
amino_sugar.py | CHEBI:28963 | amino sugar | {
"num_pos": 736,
"num_neg": 34839,
"status": "ok",
"success": true,
"precision": 0.3276723277,
"recall": 0.8913043478,
"f1": 0.4791818846,
"accuracy": 0.9599156711,
"negative_predictive_value": 0.9976171328,
"num_true_positives": 656,
"num_false_positives": 1346,
"num_true_negatives": 33493,
... | {
"success": true,
"precision": 0.3288615385,
"recall": 0.8891846922,
"f1": 0.4801437556,
"accuracy": 0.9593394238,
"negative_predictive_value": 0.9975181666,
"num_true_positives": 2672,
"num_false_positives": 5453,
"num_true_negatives": 133842,
"num_false_negatives": 333,
"error": ""
} |
anilide.py | CHEBI:13248 | anilide | {
"num_pos": 77,
"num_neg": 35498,
"status": "ok",
"success": true,
"precision": 0.0368563686,
"recall": 0.8831168831,
"f1": 0.0707596254,
"accuracy": 0.9497962052,
"negative_predictive_value": 0.9997331752,
"num_true_positives": 68,
"num_false_positives": 1777,
"num_true_negatives": 33721,
"n... | {
"success": true,
"precision": 0.0308162132,
"recall": 0.8915662651,
"f1": 0.0595733262,
"accuracy": 0.9507449051,
"negative_predictive_value": 0.9998001421,
"num_true_positives": 222,
"num_false_positives": 6982,
"num_true_negatives": 135069,
"num_false_negatives": 27,
"error": ""
} |
anthocyanidin_cation.py | CHEBI:16366 | anthocyanidin cation | {
"num_pos": 37,
"num_neg": 35538,
"status": "ok",
"success": true,
"precision": 0.68,
"recall": 0.9189189189,
"f1": 0.7816091954,
"accuracy": 0.9994659171,
"negative_predictive_value": 0.9999155524,
"num_true_positives": 34,
"num_false_positives": 16,
"num_true_negatives": 35522,
"num_false_n... | {
"success": true,
"precision": 0.5860465116,
"recall": 0.9618320611,
"f1": 0.7283236994,
"accuracy": 0.9993394238,
"negative_predictive_value": 0.9999648098,
"num_true_positives": 126,
"num_false_positives": 89,
"num_true_negatives": 142080,
"num_false_negatives": 5,
"error": ""
} |
anthoxanthin.py | CHEBI:192499 | anthoxanthin | {
"num_pos": 128,
"num_neg": 35447,
"status": "ok",
"success": true,
"precision": 0.3333333333,
"recall": 0.9921875,
"f1": 0.4990176817,
"accuracy": 0.992832045,
"negative_predictive_value": 0.9999715861,
"num_true_positives": 127,
"num_false_positives": 254,
"num_true_negatives": 35193,
"num_... | {
"success": true,
"precision": 0.3219264892,
"recall": 0.9825918762,
"f1": 0.4849642005,
"accuracy": 0.992417428,
"negative_predictive_value": 0.9999360441,
"num_true_positives": 508,
"num_false_positives": 1070,
"num_true_negatives": 140713,
"num_false_negatives": 9,
"error": ""
} |
aralkylamine.py | CHEBI:18000 | aralkylamine | {
"num_pos": 28,
"num_neg": 35547,
"status": "ok",
"success": true,
"precision": 0.0073170732,
"recall": 0.5357142857,
"f1": 0.0144369586,
"accuracy": 0.9424314828,
"negative_predictive_value": 0.9996122297,
"num_true_positives": 15,
"num_false_positives": 2035,
"num_true_negatives": 33512,
"n... | {
"success": true,
"precision": 0.0077868354,
"recall": 0.6095238095,
"f1": 0.0153772225,
"accuracy": 0.9424033732,
"negative_predictive_value": 0.9996942147,
"num_true_positives": 64,
"num_false_positives": 8155,
"num_true_negatives": 134040,
"num_false_negatives": 41,
"error": ""
} |
arenecarbaldehyde.py | CHEBI:33855 | arenecarbaldehyde | {
"num_pos": 32,
"num_neg": 35543,
"status": "ok",
"success": true,
"precision": 0.1891891892,
"recall": 0.875,
"f1": 0.3111111111,
"accuracy": 0.9965144062,
"negative_predictive_value": 0.9998870918,
"num_true_positives": 28,
"num_false_positives": 120,
"num_true_negatives": 35423,
"num_false... | {
"success": true,
"precision": 0.2055555556,
"recall": 0.8161764706,
"f1": 0.3284023669,
"accuracy": 0.9968095573,
"negative_predictive_value": 0.9998236456,
"num_true_positives": 111,
"num_false_positives": 429,
"num_true_negatives": 141735,
"num_false_negatives": 25,
"error": ""
} |
aromatic_amino_acid.py | CHEBI:33856 | aromatic amino acid | {
"num_pos": 31,
"num_neg": 35544,
"status": "ok",
"success": true,
"precision": 0.0666666667,
"recall": 0.2903225806,
"f1": 0.1084337349,
"accuracy": 0.9958397751,
"negative_predictive_value": 0.9993792325,
"num_true_positives": 9,
"num_false_positives": 126,
"num_true_negatives": 35418,
"num... | {
"success": true,
"precision": 0.0538461538,
"recall": 0.3181818182,
"f1": 0.0921052632,
"accuracy": 0.9961208714,
"negative_predictive_value": 0.9995768091,
"num_true_positives": 28,
"num_false_positives": 492,
"num_true_negatives": 141720,
"num_false_negatives": 60,
"error": ""
} |
aromatic_primary_alcohol.py | CHEBI:33857 | aromatic primary alcohol | {
"num_pos": 12,
"num_neg": 35563,
"status": "ok",
"success": true,
"precision": 0.0464135021,
"recall": 0.9166666667,
"f1": 0.0883534137,
"accuracy": 0.9936191145,
"negative_predictive_value": 0.9999717019,
"num_true_positives": 11,
"num_false_positives": 226,
"num_true_negatives": 35337,
"nu... | {
"success": true,
"precision": 0.042527339,
"recall": 0.9722222222,
"f1": 0.0814901048,
"accuracy": 0.994455376,
"negative_predictive_value": 0.9999929317,
"num_true_positives": 35,
"num_false_positives": 788,
"num_true_negatives": 141476,
"num_false_negatives": 1,
"error": ""
} |
azole.py | CHEBI:68452 | azole | {
"num_pos": 550,
"num_neg": 35025,
"status": "ok",
"success": true,
"precision": 0.2473239437,
"recall": 0.7981818182,
"f1": 0.3776344086,
"accuracy": 0.9593253689,
"negative_predictive_value": 0.9967159763,
"num_true_positives": 439,
"num_false_positives": 1336,
"num_true_negatives": 33689,
... | {
"success": true,
"precision": 0.2439793578,
"recall": 0.7894248609,
"f1": 0.3727551467,
"accuracy": 0.9597470134,
"negative_predictive_value": 0.9966450888,
"num_true_positives": 1702,
"num_false_positives": 5274,
"num_true_negatives": 134870,
"num_false_negatives": 454,
"error": ""
} |
beta_D_galactoside.py | CHEBI:28034 | beta-D-galactoside | {
"num_pos": 11,
"num_neg": 35564,
"status": "ok",
"success": true,
"precision": 0.0026465028,
"recall": 0.6363636364,
"f1": 0.0052710843,
"accuracy": 0.925734364,
"negative_predictive_value": 0.9998785302,
"num_true_positives": 7,
"num_false_positives": 2638,
"num_true_negatives": 32926,
"num... | {
"success": true,
"precision": 0.0032907108,
"recall": 0.7608695652,
"f1": 0.0065530799,
"accuracy": 0.9254251581,
"negative_predictive_value": 0.999916454,
"num_true_positives": 35,
"num_false_positives": 10601,
"num_true_negatives": 131653,
"num_false_negatives": 11,
"error": ""
} |
beta_D_glucoside.py | CHEBI:22798 | beta-D-glucoside | {
"num_pos": 138,
"num_neg": 35437,
"status": "ok",
"success": true,
"precision": 0.0371767241,
"recall": 1,
"f1": 0.0716883117,
"accuracy": 0.8995361911,
"negative_predictive_value": 1,
"num_true_positives": 138,
"num_false_positives": 3574,
"num_true_negatives": 31863,
"num_false_negatives":... | {
"success": true,
"precision": 0.0364667747,
"recall": 0.9926470588,
"f1": 0.0703491402,
"accuracy": 0.8997048489,
"negative_predictive_value": 0.9999686255,
"num_true_positives": 540,
"num_false_positives": 14268,
"num_true_negatives": 127488,
"num_false_negatives": 4,
"error": ""
} |
beta_D_glucosiduronate.py | CHEBI:83411 | beta-D-glucosiduronate | {
"num_pos": 6,
"num_neg": 35569,
"status": "ok",
"success": true,
"precision": 0.3333333333,
"recall": 1,
"f1": 0.5,
"accuracy": 0.9996626845,
"negative_predictive_value": 1,
"num_true_positives": 6,
"num_false_positives": 12,
"num_true_negatives": 35557,
"num_false_negatives": 0,
"error": ... | {
"success": true,
"precision": 0.4868421053,
"recall": 0.8409090909,
"f1": 0.6166666667,
"accuracy": 0.9996767393,
"negative_predictive_value": 0.9999507819,
"num_true_positives": 37,
"num_false_positives": 39,
"num_true_negatives": 142217,
"num_false_negatives": 7,
"error": ""
} |
beta_D_glucosiduronic_acid.py | CHEBI:15341 | beta-D-glucosiduronic acid | {
"num_pos": 22,
"num_neg": 35553,
"status": "ok",
"success": true,
"precision": 0.0701754386,
"recall": 0.3636363636,
"f1": 0.1176470588,
"accuracy": 0.9966268447,
"negative_predictive_value": 0.9996052001,
"num_true_positives": 8,
"num_false_positives": 106,
"num_true_negatives": 35447,
"num... | {
"success": true,
"precision": 0.1128404669,
"recall": 0.5043478261,
"f1": 0.1844197138,
"accuracy": 0.9963949403,
"negative_predictive_value": 0.9995979857,
"num_true_positives": 58,
"num_false_positives": 456,
"num_true_negatives": 141729,
"num_false_negatives": 57,
"error": ""
} |
beta_carbolines.py | CHEBI:60834 | beta-carbolines | {
"num_pos": 197,
"num_neg": 35378,
"status": "ok",
"success": true,
"precision": 0.1937069813,
"recall": 1,
"f1": 0.3245469522,
"accuracy": 0.9769501054,
"negative_predictive_value": 1,
"num_true_positives": 197,
"num_false_positives": 820,
"num_true_negatives": 34558,
"num_false_negatives": ... | {
"success": true,
"precision": 0.201532567,
"recall": 1,
"f1": 0.3354591837,
"accuracy": 0.9780323261,
"negative_predictive_value": 1,
"num_true_positives": 789,
"num_false_positives": 3126,
"num_true_negatives": 138385,
"num_false_negatives": 0,
"error": ""
} |
beta_lactam.py | CHEBI:35627 | beta-lactam | {
"num_pos": 72,
"num_neg": 35503,
"status": "ok",
"success": true,
"precision": 0.6728971963,
"recall": 1,
"f1": 0.8044692737,
"accuracy": 0.999016163,
"negative_predictive_value": 1,
"num_true_positives": 72,
"num_false_positives": 35,
"num_true_negatives": 35468,
"num_false_negatives": 0,
... | {
"success": true,
"precision": 0.602739726,
"recall": 0.992481203,
"f1": 0.75,
"accuracy": 0.9987631764,
"negative_predictive_value": 0.9999859018,
"num_true_positives": 264,
"num_false_positives": 174,
"num_true_negatives": 141860,
"num_false_negatives": 2,
"error": ""
} |
beta_lactam_antibiotic.py | CHEBI:27933 | beta-lactam antibiotic | {
"num_pos": 67,
"num_neg": 35508,
"status": "ok",
"success": true,
"precision": 0.6203703704,
"recall": 1,
"f1": 0.7657142857,
"accuracy": 0.9988475053,
"negative_predictive_value": 1,
"num_true_positives": 67,
"num_false_positives": 41,
"num_true_negatives": 35467,
"num_false_negatives": 0,
... | {
"success": true,
"precision": 0.5714285714,
"recall": 0.9921259843,
"f1": 0.7251798561,
"accuracy": 0.9986577653,
"negative_predictive_value": 0.9999859015,
"num_true_positives": 252,
"num_false_positives": 189,
"num_true_negatives": 141857,
"num_false_negatives": 2,
"error": ""
} |
biflavonoid.py | CHEBI:50128 | biflavonoid | {
"num_pos": 11,
"num_neg": 35564,
"status": "ok",
"success": true,
"precision": 0.0729166667,
"recall": 0.6363636364,
"f1": 0.1308411215,
"accuracy": 0.9973858046,
"negative_predictive_value": 0.9998872573,
"num_true_positives": 7,
"num_false_positives": 89,
"num_true_negatives": 35475,
"num_... | {
"success": true,
"precision": 0.0864197531,
"recall": 0.7954545455,
"f1": 0.1559020045,
"accuracy": 0.9973366128,
"negative_predictive_value": 0.9999365728,
"num_true_positives": 35,
"num_false_positives": 370,
"num_true_negatives": 141886,
"num_false_negatives": 9,
"error": ""
} |
bile_acid.py | CHEBI:3098 | bile acid | {
"num_pos": 85,
"num_neg": 35490,
"status": "ok",
"success": true,
"precision": 0.2795698925,
"recall": 0.3058823529,
"f1": 0.2921348315,
"accuracy": 0.9964581869,
"negative_predictive_value": 0.9983371851,
"num_true_positives": 26,
"num_false_positives": 67,
"num_true_negatives": 35423,
"num... | {
"success": true,
"precision": 0.2691358025,
"recall": 0.3253731343,
"f1": 0.2945945946,
"accuracy": 0.9963316936,
"negative_predictive_value": 0.998407273,
"num_true_positives": 109,
"num_false_positives": 296,
"num_true_negatives": 141669,
"num_false_negatives": 226,
"error": ""
} |
bile_acid_conjugate.py | CHEBI:36249 | bile acid conjugate | {
"num_pos": 31,
"num_neg": 35544,
"status": "ok",
"success": true,
"precision": 0.016154247,
"recall": 1,
"f1": 0.0317948718,
"accuracy": 0.9469290232,
"negative_predictive_value": 1,
"num_true_positives": 31,
"num_false_positives": 1888,
"num_true_negatives": 33656,
"num_false_negatives": 0,... | {
"success": true,
"precision": 0.0125485123,
"recall": 1,
"f1": 0.0247859972,
"accuracy": 0.9463598032,
"negative_predictive_value": 1,
"num_true_positives": 97,
"num_false_positives": 7633,
"num_true_negatives": 134570,
"num_false_negatives": 0,
"error": ""
} |
bioconjugate.py | CHEBI:64985 | bioconjugate | {
"num_pos": 12,
"num_neg": 35563,
"status": "ok",
"success": true,
"precision": 0.0027027027,
"recall": 0.0833333333,
"f1": 0.0052356021,
"accuracy": 0.9893183415,
"negative_predictive_value": 0.9996875444,
"num_true_positives": 1,
"num_false_positives": 369,
"num_true_negatives": 35194,
"num... | {
"success": true,
"precision": 0.0053827751,
"recall": 0.2647058824,
"f1": 0.0105509965,
"accuracy": 0.9881377372,
"negative_predictive_value": 0.999822226,
"num_true_positives": 9,
"num_false_positives": 1663,
"num_true_negatives": 140603,
"num_false_negatives": 25,
"error": ""
} |
bisbenzylisoquinoline_alkaloid.py | CHEBI:133004 | bisbenzylisoquinoline alkaloid | {
"num_pos": 3,
"num_neg": 35572,
"status": "ok",
"success": true,
"precision": 0.3333333333,
"recall": 1,
"f1": 0.5,
"accuracy": 0.9998313422,
"negative_predictive_value": 1,
"num_true_positives": 3,
"num_false_positives": 6,
"num_true_negatives": 35566,
"num_false_negatives": 0,
"error": "... | {
"success": true,
"precision": 0.58,
"recall": 0.90625,
"f1": 0.7073170732,
"accuracy": 0.9998313422,
"negative_predictive_value": 0.9999789104,
"num_true_positives": 29,
"num_false_positives": 21,
"num_true_negatives": 142247,
"num_false_negatives": 3,
"error": ""
} |
branched_chain_fatty_acid.py | CHEBI:35819 | branched-chain fatty acid | {
"num_pos": 34,
"num_neg": 35541,
"status": "ok",
"success": true,
"precision": 0.0291970803,
"recall": 0.5882352941,
"f1": 0.0556328234,
"accuracy": 0.9809135629,
"negative_predictive_value": 0.9995987389,
"num_true_positives": 20,
"num_false_positives": 665,
"num_true_negatives": 34876,
"nu... | {
"success": true,
"precision": 0.0457122608,
"recall": 0.7633136095,
"f1": 0.0862587763,
"accuracy": 0.980794097,
"negative_predictive_value": 0.9997132164,
"num_true_positives": 129,
"num_false_positives": 2693,
"num_true_negatives": 139438,
"num_false_negatives": 40,
"error": ""
} |
End of preview. Expand in Data Studio
No dataset card yet
- Downloads last month
- 139
Models trained or fine-tuned on chebai/chebifier