| strategy,seed,primary_model_predeclared,model,n,r2,mae,rmse,bias,calibration_slope,calibration_intercept | |
| canonical_grouped,123456,fingerprint_plus_descriptors_et,descriptor_only_ridge,391,0.8228499758611462,1.355932043876065,1.768628626680874,-0.2221587402894955,0.8078259104412557,1.2474392824266713 | |
| canonical_grouped,123456,fingerprint_plus_descriptors_et,descriptor_only_et,391,0.9117106489699729,0.8297925508377869,1.248591012472299,-0.06569718439751333,0.8945504595395685,0.7406989146437573 | |
| canonical_grouped,123456,fingerprint_plus_descriptors_et,fingerprint_no_lab_et,391,0.5309043644049862,2.0800006101173576,2.8780394219590764,0.013271100145887293,0.6539691323734693,2.659446138780642 | |
| canonical_grouped,123456,fingerprint_plus_descriptors_et,fingerprint_only_et,391,0.8751383869171369,1.0295073730861024,1.4848429211425032,0.19041704231031886,0.9055094935954786,0.9130069694767776 | |
| canonical_grouped,123456,fingerprint_plus_descriptors_et,fingerprint_plus_descriptors_et,391,0.951642596632418,0.6036743691898592,0.9240543770601332,0.027259883072104293,0.9389926694230583,0.4937965144823386 | |
| canonical_grouped,123456,fingerprint_plus_descriptors_et,fingerprint_no_lab_plus_lab_affine,391,0.8281998701183391,1.2618100255709905,1.7417177834261413,0.0034513128226940364,0.8572848793878669,1.094825595093864 | |
| canonical_grouped,123456,fingerprint_plus_descriptors_et,lab_median,391,0.433531368995719,2.5654923279028132,3.1626706975563526,-0.050814577468030676,0.45911908011502073,4.085422166064902 | |
| canonical_grouped,123457,fingerprint_plus_descriptors_et,descriptor_only_ridge,402,0.8050577764811528,1.2771985520889508,1.6069980413118181,-0.3375192136906866,0.824295960804293,0.9413177223359759 | |
| canonical_grouped,123457,fingerprint_plus_descriptors_et,descriptor_only_et,402,0.9160940722283824,0.786672036602383,1.0542866607622106,-0.09710358522247929,0.9232936780578318,0.46119250276406193 | |
| canonical_grouped,123457,fingerprint_plus_descriptors_et,fingerprint_no_lab_et,402,0.367771733023987,2.0556469817245975,2.8940054483095072,0.2096579244183337,0.5976655092755359,3.1379924677285556 | |
| canonical_grouped,123457,fingerprint_plus_descriptors_et,fingerprint_only_et,402,0.8442743063820981,0.9521517758909083,1.4362912896849003,0.033803303142497985,0.9271433206061932,0.5640803136856282 | |
| canonical_grouped,123457,fingerprint_plus_descriptors_et,fingerprint_plus_descriptors_et,402,0.9531758494934698,0.5666034201813677,0.7875848315689666,-0.002449886054562076,0.9502005872689682,0.36000807839749216 | |
| canonical_grouped,123457,fingerprint_plus_descriptors_et,fingerprint_no_lab_plus_lab_affine,402,0.7405282335514272,1.3049487974122838,1.8539902418547447,0.16788912820882265,0.8305655254516356,1.4010939269179248 | |
| canonical_grouped,123457,fingerprint_plus_descriptors_et,lab_median,402,0.42980649533990045,2.1676878109452735,2.748359389292354,0.19829975124378116,0.5128770162462994,3.7437553188182906 | |
| canonical_grouped,123458,fingerprint_plus_descriptors_et,descriptor_only_ridge,326,0.7437186544585839,1.408001688840199,1.803442286614193,-0.20837928159397803,0.7708313907944713,1.549646931596986 | |
| canonical_grouped,123458,fingerprint_plus_descriptors_et,descriptor_only_et,326,0.8939283537880169,0.8587327525680808,1.1602281691140444,-0.04847130423932304,0.8728434442408193,0.9269875903217232 | |
| canonical_grouped,123458,fingerprint_plus_descriptors_et,fingerprint_no_lab_et,326,0.26212276537652845,2.226013879287629,3.060101323191937,0.25676666834054923,0.5702807912891076,3.5532811248554057 | |
| canonical_grouped,123458,fingerprint_plus_descriptors_et,fingerprint_only_et,326,0.8165454728218113,1.0361804357873203,1.525836387918415,0.03715793271984111,0.8988189189304852,0.8133505946025902 | |
| canonical_grouped,123458,fingerprint_plus_descriptors_et,fingerprint_plus_descriptors_et,326,0.9356610040213986,0.6298370551405831,0.9036097131462943,0.05396994473314909,0.9174705417539802,0.687080000512338 | |
| canonical_grouped,123458,fingerprint_plus_descriptors_et,fingerprint_no_lab_plus_lab_affine,326,0.6384252052188621,1.566578168274785,2.1421152110669395,0.11415541718540383,0.8082083598603588,1.5854508620776155 | |
| canonical_grouped,123458,fingerprint_plus_descriptors_et,lab_median,326,0.3813799665671198,2.1785981595092023,2.801920063077693,-0.3939110429447854,0.48585957115122325,3.5502257841315683 | |
| scaffold_aware,123456,fingerprint_plus_descriptors_et,descriptor_only_ridge,755,0.6729530840277859,1.6038680399696765,2.0352040599736045,-0.9680031456534641,0.7558349685779872,1.1302772765027098 | |
| scaffold_aware,123456,fingerprint_plus_descriptors_et,descriptor_only_et,755,0.7938343905890753,1.2486790703652069,1.615887205798025,-0.620617274329117,0.8878075357165816,0.3435308264383092 | |
| scaffold_aware,123456,fingerprint_plus_descriptors_et,fingerprint_no_lab_et,755,0.1484502080239095,2.527476930497501,3.2840363448304117,-0.13215931775359138,0.367088928354588,5.30688698164915 | |
| scaffold_aware,123456,fingerprint_plus_descriptors_et,fingerprint_only_et,755,0.6478612398653143,1.6246468974960546,2.111834335631517,-0.3197458326837011,0.9601772845477448,0.02247853787385024 | |
| scaffold_aware,123456,fingerprint_plus_descriptors_et,fingerprint_plus_descriptors_et,755,0.845250860634625,0.9668842537553833,1.3999645947315964,-0.17397530970348363,0.9658069939123226,0.11986904151498985 | |
| scaffold_aware,123456,fingerprint_plus_descriptors_et,fingerprint_no_lab_plus_lab_affine,755,0.6291089541797033,1.6995180323893495,2.167335305135877,-0.2430252515334777,0.7207861217395551,2.1564543583684737 | |
| scaffold_aware,123456,fingerprint_plus_descriptors_et,lab_median,755,0.35829474633766656,2.2697266474172184,2.8508261164160187,-1.2166379056953645,0.6117015883020932,2.1202811874070107 | |
| scaffold_aware,123457,fingerprint_plus_descriptors_et,descriptor_only_ridge,755,0.6472904802180963,1.5268140410227866,1.9636976180170096,-0.8690388373073398,0.7254005666853075,1.365383159593955 | |
| scaffold_aware,123457,fingerprint_plus_descriptors_et,descriptor_only_et,755,0.7856080340462093,1.1616402779285793,1.530982674082865,-0.5944357835150883,0.8359485972058344,0.740454309305015 | |
| scaffold_aware,123457,fingerprint_plus_descriptors_et,fingerprint_no_lab_et,755,0.04622602641119633,2.459426220966685,3.2291539920338845,0.19184491138056553,0.40308219395839995,5.048979028743831 | |
| scaffold_aware,123457,fingerprint_plus_descriptors_et,fingerprint_only_et,755,0.5377926127036947,1.6367073426589425,2.2479386979251537,0.17559232056402868,0.8825854497665596,1.1309972557854788 | |
| scaffold_aware,123457,fingerprint_plus_descriptors_et,fingerprint_plus_descriptors_et,755,0.8042172729174755,0.9784261104601888,1.4630299248562042,0.026647207142825043,0.9132422532368442,0.73259701712306 | |
| scaffold_aware,123457,fingerprint_plus_descriptors_et,fingerprint_no_lab_plus_lab_affine,755,0.5338423819598639,1.633681868968718,2.257524204989089,-0.005987891388552659,0.7230371129431625,2.2476655837658495 | |
| scaffold_aware,123457,fingerprint_plus_descriptors_et,lab_median,755,0.33460484250795,2.1545862503443707,2.6971545980184786,-0.9051028060794702,0.6139351208124874,2.236316125033318 | |
| scaffold_aware,123458,fingerprint_plus_descriptors_et,descriptor_only_ridge,755,0.6549876049325366,1.5334027727076927,1.9763722585897212,-0.9584586801423178,0.7432543132266595,1.1417460724390367 | |
| scaffold_aware,123458,fingerprint_plus_descriptors_et,descriptor_only_et,755,0.7927499874588876,1.174549857469589,1.531788070799398,-0.6615662156789585,0.8568893134791333,0.5090931545080265 | |
| scaffold_aware,123458,fingerprint_plus_descriptors_et,fingerprint_no_lab_et,755,0.1580917669816242,2.3892351397706144,3.0873351573369847,0.0197202012858626,0.3317890644890706,5.485750809721414 | |
| scaffold_aware,123458,fingerprint_plus_descriptors_et,fingerprint_only_et,755,0.469722026442444,1.8334983469889594,2.45020935819713,-0.31312466554967405,0.9470745005450408,0.11981108065499385 | |
| scaffold_aware,123458,fingerprint_plus_descriptors_et,fingerprint_plus_descriptors_et,755,0.8295076956508632,0.9709106367906593,1.3893248079608502,-0.029991060497377105,0.9503343444640431,0.37627884458877703 | |
| scaffold_aware,123458,fingerprint_plus_descriptors_et,fingerprint_no_lab_plus_lab_affine,755,0.6248475128565931,1.6558392433807299,2.060892388601334,-0.10772461597374951,0.667775177343711,2.609906827954704 | |
| scaffold_aware,123458,fingerprint_plus_descriptors_et,lab_median,755,0.3359420336076675,2.157773187562914,2.7419175783172145,-0.8030153888609272,0.6254978621783458,2.260448615499457 | |