dpp4-pic50-extra-trees / metrics.csv
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Model,RMSE,MAE,R2,Adj_R2,Pearson_r,Spearman_rho,Mean_bias,RMSE_potent,MAE_potent,R2_potent,n_potent,RMSE_moderate,MAE_moderate,R2_moderate,n_moderate,RMSE_weak,MAE_weak,R2_weak,n_weak,Time_Taken
ExtraTreesRegressor,0.44490584312612247,0.14370782141459543,0.8668016784204249,,0.9322896243335387,0.933911019232391,-0.005523152713074353,0.4470604324357821,0.12408675060291995,0.490758791970331,551,0.4415012725554881,0.16754266003045293,0.4021479920413563,389,0.44677521025730366,0.16601880396045926,-2.0917646218349426,69,55.96076279700003
RandomForestRegressor,0.4743298068953365,0.2581515390561098,0.8486008745695979,,0.9220712372573107,0.9248560322522086,0.015101655823205107,0.445580637434704,0.21593616448802783,0.49412444616700657,551,0.46664353472777287,0.27242990164810726,0.3321171694691828,389,0.6906183714859956,0.5147658628057646,-6.387619887090291,69,46.7746995880002
ExtraTreeRegressor,0.4871092828638402,0.15661763857408917,0.8403329338445358,,0.920001740959384,0.9185714217509309,-0.011740137181729615,0.500125151798959,0.13864189838953062,0.36269332913734964,551,0.47877553292756597,0.1835812040898219,0.2969379283152018,389,0.4243161080648929,0.1481510567780278,-1.7887355020919222,69,0.8213620010000113
BaggingRegressor,0.5135743889904301,0.27979391671728,0.8225118962403818,,0.9070221399554848,0.9058908495465972,0.010321454785709783,0.48312889995238884,0.2409190829048621,0.40527375242701014,551,0.5025916608716174,0.2943265900401564,0.22525223937974215,389,0.7543194918521869,0.5082986052396478,-7.81330800426089,69,5.084050538999918
DecisionTreeRegressor,0.5238358795530504,0.16955688475459804,0.8153484249320144,,0.9065235839110352,0.9057983450380556,0.00509432095107254,0.5261396285761822,0.15017743855315582,0.29466879247124445,551,0.4929595568713279,0.18563398462363942,0.2546635612413749,389,0.6573298283908999,0.2336740297971716,-5.692601524463216,69,0.9244097769999371
XGBRegressor,0.5288970957742841,0.3646160364151001,0.8117630481719971,,0.901948094367981,0.8971921546911532,0.0003018379211425781,0.48460604171922617,0.3252030611038208,0.40163153409957886,551,0.5388253837649569,0.38174501061439514,0.10951662063598633,389,0.7605468734325845,0.5827804803848267,-7.959427833557129,69,1.4749479979998341
MLPRegressor,0.5464467415384293,0.2718546986579895,0.7990638017654419,,0.9020746946334839,0.9082757935860097,-0.06146812438964844,0.5390894509917422,0.25980880856513977,0.2595210075378418,551,0.514228171462502,0.2737289071083069,0.1889614462852478,389,0.7450101483057068,0.3574807643890381,-7.597113609313965,69,5.716940320000049
NuSVR,0.5486297971828282,0.30840593592616156,0.7974550983237862,,0.8949064426146758,0.9118358040576232,0.03045943003053253,0.457154863453105,0.2460791625489735,0.4675022700171907,551,0.5049300970484246,0.3011196975431079,0.2180260435345499,389,1.1380923518878996,0.847194325228169,-19.0624190449174,69,37.12503493700001
SVR,0.5500380012306816,0.32248021742923405,0.7964139933595642,,0.8947350277729508,0.9113243582168881,0.02802375292654702,0.46071697343795726,0.26177191935320504,0.4591715902333021,551,0.5045194243281681,0.3141718587235276,0.21929752558678628,389,1.1375880035446537,0.8541066489714341,-19.04464156704774,69,32.71541530700006
CatBoostRegressor,0.564896806957989,0.4116271237618402,0.7852660202593533,,0.889202408025576,0.8876206641249889,0.005031746581741103,0.5073302332984048,0.3615619205213097,0.34419826710644463,551,0.5607391055751971,0.4216201456852325,0.0356127456975992,389,0.9156385833680292,0.7550856956072411,-11.986031654815243,69,10.872304891999875
HistGradientBoostingRegressor,0.6375180732570023,0.4683720200910326,0.7265061683150819,,0.8554671115241463,0.8557548172973924,0.005798926988993536,0.5564265315965669,0.4003391310532017,0.21112765459432603,551,0.6282844426274231,0.4848841577743502,-0.21071628716971658,389,1.1160060679316721,0.918558980975588,-18.29129576656924,69,5.531226242999992
LGBMRegressor,0.6389179527645709,0.4718214741166719,0.7253037592479499,,0.855027773427804,0.8514653672899306,0.011369253708972238,0.5619390297309604,0.403917696626077,0.19541956706792785,551,0.6415250691286414,0.4954444610529336,-0.2622838829205367,389,1.061876537284972,0.8808887129443812,-16.465311567124605,69,1.058167307000076
KNeighborsRegressor,0.6693014269019784,0.4573799669742584,0.6985564231872559,,0.8370934128761292,0.8374151676631147,0.051483154296875,0.583578932240819,0.38913512229919434,0.13225865364074707,551,0.6728463581033417,0.48818254470825195,-0.38855016231536865,389,1.1308337589189088,0.8286944627761841,-18.80732536315918,69,0.4888588730000265
ElasticNetCV,0.7489034265615786,0.5735324025154114,0.6225893497467041,,0.7892542481422424,0.7833776200669544,-0.00014591217041015625,0.7090082926433356,0.5337258577346802,-0.28083646297454834,551,0.6957328897113758,0.5512252449989319,-0.48461830615997314,389,1.2076273807130609,1.0171698331832886,-21.58885383605957,69,24.654524723999998
LassoCV,0.7489043418371292,0.5734206438064575,0.6225883960723877,,0.7892428636550903,0.7832558594859266,-0.00022172927856445312,0.708718956901587,0.5335198044776917,-0.27979135513305664,551,0.6958126026956313,0.5510913729667664,-0.4849585294723511,389,1.208732714366693,1.0179338455200195,-21.630224227905273,69,24.325987140999814
RidgeCV,0.7525421189027005,0.5781168240947497,0.6189129797253412,,0.7887637349898741,0.7838573203086352,-0.006692915799579424,0.7237093702682977,0.5457886559526384,-0.3345027202876083,551,0.6977475910500767,0.5564930347456748,-0.49322916710141107,389,1.163715075947794,0.958181674864223,-19.975948540800257,69,2.03046434099997
Ridge,0.7529005151383867,0.5784660577774048,0.6185499429702759,,0.7886978983879089,0.7836595163137916,-0.007277011871337891,0.724469564681843,0.5465633273124695,-0.33730781078338623,551,0.6983899153643867,0.5568917393684387,-0.4959796667098999,389,1.1611530375985084,0.9548545479774475,-19.883689880371094,69,0.43747415400002865
TransformedTargetRegressor,0.7529419973433364,0.5785075426101685,0.6185078620910645,,0.7886908054351807,0.7835797580515862,-0.00734710693359375,0.724555823308593,0.5466547608375549,-0.33762621879577637,551,0.698466722359248,0.5569363832473755,-0.49630868434906006,389,1.1608558882808508,0.9544795751571655,-19.873001098632812,69,0.6935172500000135
LinearRegression,0.7529419973433364,0.5785075426101685,0.6185078620910645,,0.7886908054351807,0.7835797580515862,-0.00734710693359375,0.724555823308593,0.5466547608375549,-0.33762621879577637,551,0.698466722359248,0.5569363832473755,-0.49630868434906006,389,1.1608558882808508,0.9544795751571655,-19.873001098632812,69,0.7458472499999971
BayesianRidge,0.7549332260135915,0.5779023766517639,0.616487443447113,,0.7852728366851807,0.7786915374157487,0.002952098846435547,0.7162589151516655,0.5382720232009888,-0.30716729164123535,551,0.6951688553809122,0.5510727763175964,-0.4822120666503906,389,1.22998512088491,1.0456273555755615,-22.433006286621094,69,1.2291546630000312
PoissonRegressor,0.7748709720276759,0.5959820892250164,0.5959628334055127,,0.7721290886453028,0.7643140987074813,0.0025056467705564245,0.7487976930534656,0.5682884695440231,-0.4286309925689722,551,0.6842465208264126,0.5405393280901956,-0.4360017477918663,389,1.289630126207302,1.1296982997420104,-24.760757377194377,69,3.802737153999942
HuberRegressor,0.7961176347076512,0.5713604737376428,0.5735019780216376,,0.7651549041993166,0.7594676117064633,0.02199704831826743,0.7359387344988438,0.5216912959869174,-0.379985093714871,551,0.7535422058387127,0.5622763600909397,-0.7415860488165329,389,1.3198509609274012,1.0192073889436883,-25.98224451108262,69,13.556436829999939
LassoLarsCV,0.8062476061999839,0.6216838955879211,0.5625792741775513,,0.7508612871170044,0.7371140080021654,0.007696628570556641,0.7439822932130801,0.570873498916626,-0.41031551361083984,551,0.744379160538712,0.5878686308860779,-0.6994881629943848,389,1.400603763635512,1.21807062625885,-29.38497543334961,69,3.0058799430000818
LassoLarsIC,0.8062990587671126,0.6217286586761475,0.562523365020752,,0.7508252263069153,0.7370845520580935,0.0076923370361328125,0.7440304812319575,0.5709124207496643,-0.41049814224243164,551,0.7444120297642148,0.5879019498825073,-0.6996383666992188,389,1.400734405670426,1.2182265520095825,-29.390644073486328,69,1.3097372419999829
SGDRegressor,0.8185318125953841,0.6254579572687964,0.5491483540627633,,0.7561927621012211,0.7433278746222849,-0.019542789029867613,0.7768741103640379,0.5976968412326413,-0.5377734883807554,551,0.7704700003584652,0.6023102520558045,-0.8207119367944693,389,1.2772118558831238,0.977643932106118,-24.267028497832413,69,2.834559906000095
TweedieRegressor,0.8333152232753792,0.643880385519154,0.5327157268400653,,0.740622278430147,0.7257631193593975,0.01256704484399851,0.7668257999648653,0.5878841604009382,-0.49825075313240874,551,0.7363045897110461,0.5845470699847295,-0.6628182718007103,389,1.5499872985544323,1.4255409620847808,-36.21213315367244,69,2.179031790999943
GammaRegressor,0.8375878789593355,0.6499377879935738,0.5279116306465159,,0.735032913934877,0.7189053748898294,-0.015232530568225933,0.800952798919288,0.6176406166297057,-0.6345752498070882,551,0.7144763697373878,0.5658724937857312,-0.5656890427358445,389,1.5027105774062888,1.3817804092738943,-33.97671146230394,69,2.3075969249999844
GradientBoostingRegressor,0.8682203154190561,0.6724580458515004,0.49274957386243157,,0.7095329974342122,0.6836172620791993,0.02400332480090661,0.7666261998289796,0.5906192773115946,-0.49747088335406753,551,0.8107323446863431,0.6498744954127107,-1.0159732839262903,389,1.6199605907239807,1.4533009818830542,-39.64781324280559,69,9.305009280999911
OrthogonalMatchingPursuitCV,0.886893805478535,0.692225456237793,0.4706953167915344,,0.6902417540550232,0.6740932932356846,0.009052276611328125,0.8385442571817193,0.6493507027626038,-0.7916082143783569,551,0.797221239453403,0.6426140069961548,-0.9493393898010254,389,1.517946333628875,1.3142956495285034,-34.68955612182617,69,1.0991933009997865
OrthogonalMatchingPursuit,0.886893805478535,0.692225456237793,0.4706953167915344,,0.6902417540550232,0.6740932932356846,0.009052276611328125,0.8385442571817193,0.6493507027626038,-0.7916082143783569,551,0.797221239453403,0.6426140069961548,-0.9493393898010254,389,1.517946333628875,1.3142956495285034,-34.68955612182617,69,0.28732918500008964
LinearSVR,0.888888698226038,0.6564620087828116,0.4683114570398891,,0.7186553580226068,0.7041819646409576,0.02248724602206753,0.8160878272444809,0.6053113497504308,-0.6969336896854728,551,0.8671646286777973,0.6622255974076233,-1.3063907229342133,389,1.4129346103680498,1.0324326921420863,-29.92234452148924,69,21.73382116799985
Lars,0.9267993913655099,0.6947492361068726,0.421991765499115,,0.6690384745597839,0.6700969456541143,-0.0478978157043457,0.9215188389082445,0.6861850023269653,-1.1637122631072998,551,0.8032761576264241,0.6240968108177185,-0.979062557220459,389,1.463452953034654,1.1614540815353394,-32.17308044433594,69,0.6774269759998788
LarsCV,0.9460248548779007,0.7417157888412476,0.3977627754211426,,0.6383537650108337,0.6210603020979091,0.013880729675292969,0.8621460367971041,0.6795525550842285,-0.8938812017440796,551,0.8359037018119988,0.6642175316810608,-1.143099069595337,389,1.7923100743037075,1.6750320196151733,-48.75704574584961,69,2.508162926000068
PassiveAggressiveRegressor,0.971402109036925,0.743567314631144,0.36501916536575507,,0.6866409919065664,0.6805755341581571,0.06734116991076,0.9363511461783983,0.7068528818751354,-1.2339248790251842,551,0.9535797593178588,0.7396654069710159,-1.7889698613122444,389,1.2926784324234195,1.0587483947521668,-24.882683008781445,69,0.7783896700000241
AdaBoostRegressor,1.0616108371781308,0.8643484766762647,0.2416089139104921,,0.5334306733178166,0.4965532409534794,-0.081588840464069,1.0174773938643222,0.8520754636786555,-1.6377923829209284,551,0.8571996353688598,0.6847183633782151,-1.2536876669919264,389,2.0176703061673753,1.9750520163084966,-62.056330349518916,69,4.343863785000053
Lasso,1.2194767276909728,0.9772883653640747,-0.0007129907608032227,,,,0.03255128860473633,1.0668348631770135,0.8665010333061218,-1.899916410446167,551,1.022806803183071,0.8485836982727051,-2.2086102962493896,389,2.6000226019830586,2.5875773429870605,-103.70864868164062,69,0.27310803000000305
DummyRegressor,1.2194767276909728,0.9772883653640747,-0.0007129907608032227,,,,0.03255128860473633,1.0668348631770135,0.8665010333061218,-1.899916410446167,551,1.022806803183071,0.8485836982727051,-2.2086102962493896,389,2.6000226019830586,2.5875773429870605,-103.70864868164062,69,0.21051521099991533
ElasticNet,1.2194767276909728,0.9772883653640747,-0.0007129907608032227,,,,0.03255128860473633,1.0668348631770135,0.8665010333061218,-1.899916410446167,551,1.022806803183071,0.8485836982727051,-2.2086102962493896,389,2.6000226019830586,2.5875773429870605,-103.70864868164062,69,0.26428877599994394
LassoLars,1.2194767276909728,0.9772883653640747,-0.0007129907608032227,,,,0.03255128860473633,1.0668348631770135,0.8665010333061218,-1.899916410446167,551,1.022806803183071,0.8485836982727051,-2.2086102962493896,389,2.6000226019830586,2.5875773429870605,-103.70864868164062,69,0.323463017999984
QuantileRegressor,1.2292780260432972,0.9767933751948407,-0.016863760923920612,,,,0.15830564498901367,0.9678672123023268,0.7610647847128866,-1.3868362643300411,551,1.1293254402492976,0.9743389776862372,-2.9117221206343227,389,2.725203772875295,2.713332708331122,-114.03400772844738,69,18.35758938800018
RANSACRegressor,2.7943850894166506,1.8453004360198975,-4.254543781280518,,0.34248730540275574,0.38784227435693086,-0.07517671585083008,2.7978843700356166,1.840427041053772,-18.94576072692871,551,2.635343608421536,1.754794955253601,-20.30120849609375,389,3.538467188738136,2.394458055496216,-192.93609619140625,69,31.896039385999984
GaussianProcessRegressor,3.3619536566352837,1.6366877451078603,-6.605818865347223,,0.3390333876547416,0.6187610974371038,-1.5802258999356074,3.7094426877470896,1.7855826721150152,-34.059716735150595,551,3.0035348038358696,1.5354518209792722,-26.66910492889843,389,2.1314115335351707,1.0184220886597224,-69.36600755949931,69,240.39542832300015
KernelRidge,7.085335063455064,7.045155048370361,-32.781837463378906,,0.7881292700767517,0.7829224970077416,-7.045155048370361,7.375439646919467,7.346338748931885,-137.60116577148438,551,6.794972681884644,6.764201641082764,-140.61366271972656,389,6.278800828482298,6.223972797393799,-609.635009765625,69,2.3746625510000285