candidate,part,subset,targets,pairs,MAE,MAE_sd,RMSE,R2,Spearman
Mean,validation,all,162,20427,0.9889479809322995,0.0,1.1890463526291037,-0.10376422831510292,
Mean,validation,changed,81,577,1.055024029701203,0.0,1.173095183108628,-5.639463414377208,
Median,validation,all,162,20427,0.9849896075389165,0.0,1.2033583891011668,-0.12504893553704766,
Median,validation,changed,81,577,1.0405344173354254,0.0,1.1623123784468943,-4.451774631041165,
RF_descriptors_only,validation,all,162,20427,0.7226768220979555,0.00041167576684194955,0.9291119550432786,0.2755796180854413,0.5313627986366863
RF_descriptors_only,validation,changed,81,577,0.8001090856105142,0.0030289946935593863,0.9348231097839138,-3.0650548748341095,0.295611864803567
RF_full,validation,all,162,20427,0.6030006187340814,0.0015853232810735783,0.7870201443243904,0.4739387973827332,0.6835960439559617
RF_full,validation,changed,81,577,0.6542898263408619,0.0032926946116657403,0.7587458864531111,-1.9312410039407728,0.5248684217265064
RF_full_bits1024,validation,all,162,20427,0.6030392834199799,0.0004665384116055044,0.7885815307571423,0.4713344256532363,0.6783920674939447
RF_full_bits1024,validation,changed,81,577,0.640577578118971,0.004845703473898029,0.7440225404899476,-1.4383416611436608,0.5106533428790946
RF_full_bits4096,validation,all,162,20427,0.6027387859869594,0.00022080479987810327,0.7853204127574079,0.4755527180438352,0.6834034551097318
RF_full_bits4096,validation,changed,81,577,0.6618076428418397,0.006099274732040395,0.7656479257262635,-1.9667924098684206,0.5161644111592455
RF_full_counts,validation,all,162,20427,0.5963688023422725,0.001042517693199778,0.7785582718043277,0.48395910420291766,0.690371307714448
RF_full_counts,validation,changed,81,577,0.6596915520301644,0.0096116095241366,0.7664801725049107,-1.8704312749610483,0.5118509364169644
RF_full_descriptors,validation,all,162,20427,0.5940746929460171,0.0007810311897873991,0.7755133774794016,0.4877198616197517,0.6931196246020299
RF_full_descriptors,validation,changed,81,577,0.6521696734458339,0.0017839453900612518,0.7601891099872092,-1.8463166165504148,0.5284665996115469
RF_full_descriptors_bits1024,validation,all,162,20427,0.5943450306736137,0.0015675168470118586,0.7760869853442912,0.4868778697478784,0.6913597445997324
RF_full_descriptors_bits1024,validation,changed,81,577,0.6464738919561174,0.0004546732391473024,0.7517084134741236,-1.4600679892625612,0.5188290251090328
RF_full_descriptors_bits4096,validation,all,162,20427,0.5957334390527588,0.0009894557509740208,0.7772478275782632,0.4853047143425681,0.6913898790664342
RF_full_descriptors_bits4096,validation,changed,81,577,0.6423767890736499,0.003354140958769536,0.7481491759574775,-1.5583325351173596,0.54573141786553
RF_full_descriptors_radius1,validation,all,162,20427,0.6031056366872646,0.0002420233282976952,0.7843195587871907,0.4759598695352993,0.6842393402085
RF_full_descriptors_radius1,validation,changed,81,577,0.6602471884569767,0.002391431972581673,0.7708653113021969,-1.5050315943478365,0.49862726671751306
RF_full_descriptors_radius3,validation,all,162,20427,0.5989143515215636,0.0007532727295985377,0.7810310763421513,0.4803991883228898,0.6908872187925846
RF_full_descriptors_radius3,validation,changed,81,577,0.661427832594846,0.005422380208549838,0.7702454238857311,-1.7191950106523233,0.5356945141275243
RF_full_dropout,validation,all,162,20427,0.6078747744891806,0.001569692025964059,0.792220204847553,0.4677146615547205,0.6772123373879845
RF_full_dropout,validation,changed,81,577,0.6620719352641526,0.0014257925927116195,0.7668017824156843,-1.6491044695975254,0.5231516354972435
RF_full_leaf10,validation,all,162,20427,0.7381141950331864,0.0014600014733755257,0.9236199336241097,0.29444452792882,0.5836701526126452
RF_full_leaf10,validation,changed,81,577,0.8448024390239811,0.0033122028552431647,0.9598657296287492,-4.651528504878176,0.3819392853533092
RF_full_leaf3,validation,all,162,20427,0.6569918320340643,0.0008049549465895182,0.839788450935688,0.40676444218368507,0.6467414799346621
RF_full_leaf3,validation,changed,81,577,0.7392762615489682,0.006227203815433221,0.8491827243862439,-2.967037830795484,0.45032499549863636
RF_full_radius1,validation,all,162,20427,0.6132838408579961,0.0015130241773838912,0.798210419040647,0.4572227787611698,0.6693463635915037
RF_full_radius1,validation,changed,81,577,0.66389178346979,0.007974827717340711,0.7722882729360433,-1.585566984033181,0.46916568842688894
RF_full_radius3,validation,all,162,20427,0.6092817146492804,0.0006500127855754194,0.794578692478232,0.4643221323939027,0.6787125249288682
RF_full_radius3,validation,changed,81,577,0.6688926040354715,0.008302607652521497,0.7748404967949414,-1.846396178121023,0.5113803115486261
RF_parent,validation,all,162,20427,0.6023183651408178,0.0015472469521477055,0.7866945016184831,0.4742201813979919,0.6843897324863185
RF_parent,validation,changed,81,577,0.6591695330534169,0.00324323746835887,0.7667451242212611,-2.079977104137452,0.514990700961861
RF_parent_descriptors,validation,all,162,20427,0.5941418023784052,0.0010192736061139563,0.7755649026596897,0.48774517505009446,0.6945058272071218
RF_parent_descriptors,validation,changed,81,577,0.6567842885999152,0.006902620727546779,0.7650252788081193,-2.0828316763349353,0.5029332609262981
Tanimoto_1NN,validation,all,162,20427,0.7039302802296946,0.0,0.963494648524805,0.18057940711572865,0.6001613504460163
Tanimoto_1NN,validation,changed,81,577,0.7409969412489268,0.0,0.8727831621904419,-5.48524253139255,0.44517990804169466
Tanimoto_5NN,validation,all,162,20427,0.623565965636883,0.0,0.827732502955262,0.4063432881602842,0.6372062325800429
Tanimoto_5NN,validation,changed,81,577,0.6605906331371754,0.0,0.7775116770421499,-5.723305949045829,0.44491870984651416