diff --git "a/data/benchmarks/DTI_test_metrics.csv" "b/data/benchmarks/DTI_test_metrics.csv" new file mode 100644--- /dev/null +++ "b/data/benchmarks/DTI_test_metrics.csv" @@ -0,0 +1,591 @@ +"Model","Type","Scenario","Family","loss","AUPRC","AUROC","F1","Precision","Recall","Sensitivity","Specificity" +"TransformerCPI2","Family","Random Split","Kinase",0.529448926448822,0.917847275733948,0.948936998844147,0.861416518688202,0.862470090389252,0.860365509986877,0.860365509986877,0.903842508792877 +"TransformerCPI","Family","Random Split","Kinase",0.278446406126022,0.939292073249817,0.957144379615784,0.872766554355621,0.868826925754547,0.87674206495285,0.87674206495285,0.907225131988525 +"TransformerCPI2","Family","Random Split","Ion Channel",0.394880056381226,0.960474252700806,0.891009449958801,0.927506148815155,0.897928416728973,0.959098815917969,0.959098815917969,0.56870025396347 +"TransformerCPI2","Family","Random 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Receptor",0.75433623790741,0.448829829692841,0.711614608764648,0.515350878238678,0.422661870718002,0.660112380981445,0.660112380981445,0.660317480564117 +"TransformerCPI","Family","Unseen Compound","Membrane Receptor",0.610002934932709,0.631635844707489,0.786950170993805,0.641683101654053,0.585834324359894,0.709302306175232,0.709302306175232,0.750902533531189 +"TransformerCPI","Family","Seen Target","Ion Channel",0.608357012271881,0.812865376472473,0.812245488166809,0.797451555728912,0.766717731952667,0.830752193927765,0.830752193927765,0.68373703956604 +"TransformerCPI","Family","Unseen Target","Ion Channel",1.39978897571564,0.704193770885468,0.637919962406158,0.669960021972656,0.551083564758301,0.854229152202606,0.854229152202606,0.175550818443298 +"TransformerCPI","Family","Unseen Compound","Ion Channel",1.2459659576416,0.646430194377899,0.651307761669159,0.666666686534882,0.536458313465118,0.88034188747406,0.88034188747406,0.330827057361603 +"TransformerCPI","Family","Seen Compound","Ion Channel",0.874682724475861,0.820736408233643,0.695229291915894,0.772676348686218,0.705521464347839,0.853960394859314,0.853960394859314,0.320754706859589 +"TransformerCPI","Family","Seen Compound","Non-Kinase Enzyme",0.143430605530739,0.625581443309784,0.92137211561203,0.576470613479614,0.480392158031464,0.720588207244873,0.720588207244873,0.958882868289948 +"TransformerCPI","Family","Unseen Compound","Non-Kinase Enzyme",0.557989180088043,0.146560326218605,0.748409390449524,0.18387097120285,0.108882524073124,0.590673565864563,0.590673565864563,0.772771537303925 +"TransformerCPI","Family","Unseen Target","Non-Kinase Enzyme",1.21452796459198,0.5983025431633,0.581766366958618,0.467271864414215,0.610232949256897,0.378580659627914,0.378580659627914,0.745449602603912 +"TransformerCPI","Family","Seen Target","Non-Kinase Enzyme",0.767695426940918,0.825303733348846,0.783054292201996,0.678165853023529,0.807876706123352,0.584344804286957,0.584344804286957,0.843208491802216 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Compound","Ion Channel",0.892844378948212,0.718835473060608,0.744521498680115,0.694852948188782,0.60967743396759,0.807692289352417,0.807692289352417,0.545112788677216 +"GraphDTA","General","Seen Target","Nuclear Receptor",0.548450410366058,0.842675030231476,0.831850230693817,0.698724925518036,0.835365831851959,0.60050094127655,0.60050094127655,0.86847597360611 +"GraphDTA","General","Unseen Target","Nuclear Receptor",1.16105806827545,0.672606945037842,0.643076598644257,0.514825940132141,0.735872209072113,0.395902186632156,0.395902186632156,0.833848536014557 +"GraphDTA","General","Seen Target","Membrane Receptor",0.561094880104065,0.817089319229126,0.811390221118927,0.650136947631836,0.810567915439606,0.542719602584839,0.542719602584839,0.860323369503021 +"GraphDTA","General","Unseen Target","Membrane Receptor",1.02145910263062,0.575193583965302,0.586416840553284,0.45118898153305,0.612574338912964,0.357107490301132,0.357107490301132,0.757768929004669 +"GraphDTA","General","Seen Target","Kinase",0.533983051776886,0.829956889152527,0.821965098381042,0.700043916702271,0.804508745670319,0.619590580463409,0.619590580463409,0.839547097682953 +"GraphDTA","General","Unseen Target","Kinase",2.12973761558533,0.480102479457855,0.486391246318817,0.260169506072998,0.484609305858612,0.177816390991211,0.177816390991211,0.821925282478333 +"GraphDTA","General","Seen Target","Others",0.446265578269958,0.91693127155304,0.889885604381561,0.794313073158264,0.884057998657227,0.721109747886658,0.721109747886658,0.871052622795105 +"GraphDTA","General","Unseen Target","Others",2.46572637557983,0.594020962715149,0.532950937747955,0.452261298894882,0.575804591178894,0.372367113828659,0.372367113828659,0.704404234886169 +"GraphDTA","General","Seen Target","Non-Kinase Enzyme",0.551294326782227,0.840518295764923,0.821145236492157,0.691865503787994,0.824032843112946,0.596234798431396,0.596234798431396,0.85634434223175 +"GraphDTA","General","Unseen Target","Ion Channel",2.12005662918091,0.536617696285248,0.495710015296936,0.355501800775528,0.541769027709961,0.264547079801559,0.264547079801559,0.734896957874298 +"GraphDTA","General","Seen Target","Ion Channel",0.529589235782623,0.876353979110718,0.832853257656097,0.727155745029449,0.8692307472229,0.625,0.625,0.882352948188782 +"GraphDTA","General","Unseen Target","Non-Kinase Enzyme",1.79304754734039,0.594297766685486,0.551587998867035,0.372645825147629,0.639272272586823,0.262967735528946,0.262967735528946,0.84379243850708 +"GraphDTA","General","Unseen Compound","All Families",0.282747000455856,0.357376366853714,0.828651905059814,0.367071539163589,0.337608605623245,0.402168542146683,0.402168542146683,0.935179591178894 +"GraphDTA","General","Unseen Target","All Families",1.81468462944031,0.565323889255524,0.543040573596954,0.400629550218582,0.59435361623764,0.302147418260574,0.302147418260574,0.781787037849426 +"GraphDTA","General","Seen Target","All Families",0.523271679878235,0.857655882835388,0.837509095668793,0.71333646774292,0.836447656154633,0.62181556224823,0.62181556224823,0.858952224254608 +"MolTrans","Family","Seen Compound","Others",0.148454487323761,0.854282975196838,0.958894491195679,0.816425144672394,0.849246203899384,0.786046504974365,0.786046504974365,0.980366468429565 +"MolTrans","Family","Unseen Compound","Others",0.0815928280353546,0.450544893741608,0.876097023487091,0.400000005960464,0.555555582046509,0.3125,0.3125,0.993485331535339 +"MolTrans","Family","Seen Target","Others",0.307599544525146,0.96299421787262,0.950729787349701,0.899142861366272,0.875800549983978,0.923763573169708,0.923763573169708,0.821381568908691 +"MolTrans","Family","Unseen Target","Others",0.995047330856323,0.585264921188354,0.575734794139862,0.526036560535431,0.593385815620422,0.472417265176773,0.472417265176773,0.651175379753113 +"MolTrans","Family","Seen Target","Nuclear Receptor",0.409771680831909,0.905717194080353,0.896578848361969,0.819400131702423,0.835393607616425,0.804007530212402,0.804007530212402,0.82393878698349 +"MolTrans","Family","Seen Compound","Nuclear Receptor",0.376943975687027,0.802314579486847,0.893253564834595,0.675159215927124,0.711409389972687,0.64242422580719,0.64242422580719,0.886842131614685 +"MolTrans","Family","Unseen Compound","Nuclear Receptor",0.483198314905167,0.722775518894196,0.829897105693817,0.653846144676208,0.703448295593262,0.610778450965881,0.610778450965881,0.871257483959198 +"MolTrans","Family","Unseen Target","Nuclear Receptor",0.802756011486053,0.68199235200882,0.652527689933777,0.375436842441559,0.767346918582916,0.248512893915176,0.248512893915176,0.91190105676651 +"MolTrans","Family","Seen Compound","Non-Kinase Enzyme",0.144071847200394,0.635388851165771,0.917734026908874,0.509316742420197,0.440860211849213,0.602941155433655,0.602941155433655,0.959658622741699 +"MolTrans","Family","Unseen Compound","Non-Kinase Enzyme",0.187184736132622,0.301557570695877,0.859968543052673,0.349705308675766,0.281645566225052,0.461139887571335,0.461139887571335,0.944715023040772 +"MolTrans","Family","Seen Target","Non-Kinase Enzyme",0.426574528217316,0.900357723236084,0.888585925102234,0.818328976631165,0.822734117507935,0.813970744609833,0.813970744609833,0.802124083042145 +"MolTrans","Family","Unseen Target","Non-Kinase Enzyme",0.823372721672058,0.616416394710541,0.621270000934601,0.414840370416641,0.626041650772095,0.310193538665771,0.310193538665771,0.804944336414337 +"MolTrans","Family","Unseen Compound","Kinase",0.439954578876495,0.136760964989662,0.714946091175079,0.17429193854332,0.110192835330963,0.416666656732559,0.416666656732559,0.840677380561829 +"MolTrans","Family","Unseen Target","Kinase",0.910796999931335,0.699547708034515,0.733627080917358,0.450676590204239,0.698055863380432,0.332754135131836,0.332754135131836,0.864466845989227 +"MolTrans","Family","Seen Compound","Kinase",0.0912454426288604,0.71278977394104,0.930856168270111,0.671428561210632,0.706766903400421,0.639455795288086,0.639455795288086,0.987704932689667 +"MolTrans","Family","Seen Target","Kinase",0.347974300384521,0.938270747661591,0.934894502162933,0.866794109344482,0.852985441684723,0.881057262420654,0.881057262420654,0.838166236877441 +"MolTrans","Family","Seen Target","Ion Channel",0.468009412288666,0.902079224586487,0.882011115550995,0.821097254753113,0.788295149803162,0.856747806072235,0.856747806072235,0.712110698223114 +"MolTrans","Family","Seen Compound","Ion Channel",0.724995732307434,0.835528016090393,0.740064024925232,0.787663102149963,0.756264209747314,0.821782171726227,0.821782171726227,0.495283007621765 +"MolTrans","Family","Unseen Compound","Ion Channel",0.774671375751495,0.769478559494019,0.810825169086456,0.72953736782074,0.625,0.876068353652954,0.876068353652954,0.537593960762024 +"MolTrans","Family","Unseen Target","Ion Channel",0.878883957862854,0.635963499546051,0.657006561756134,0.697663307189941,0.578947365283966,0.877624452114105,0.877624452114105,0.243781089782715 +"MolTrans","General","Seen Compound","All Families",0.237989872694016,0.517514288425446,0.895639777183533,0.51439756155014,0.459540456533432,0.584127008914948,0.584127008914948,0.92849588394165 +"MolTrans","General","Unseen Compound","All Families",0.368519097566605,0.29041662812233,0.806501924991608,0.334594994783401,0.241477265954018,0.544603228569031,0.544603228569031,0.85946798324585 +"MolTrans","General","Unseen Target","All Families",0.826435625553131,0.616111695766449,0.59455132484436,0.524166285991669,0.595470130443573,0.468112647533417,0.468112647533417,0.663488447666168 +"MolTrans","General","Seen Target","All Families",0.456871777772903,0.886248290538788,0.867931604385376,0.802737474441528,0.785546064376831,0.820698142051697,0.820698142051697,0.740084409713745 +"MolTrans","General","Seen Compound","Nuclear Receptor",0.480761706829071,0.672401666641235,0.819202542304993,0.596923053264618,0.606249988079071,0.58787876367569,0.58787876367569,0.834210515022278 +"MolTrans","General","Unseen Compound","Nuclear Receptor",0.573343873023987,0.609807729721069,0.757395446300507,0.594752192497253,0.579545438289642,0.610778450965881,0.610778450965881,0.778443098068237 +"MolTrans","General","Seen Compound","Membrane Receptor",0.611829280853271,0.514887928962708,0.732780814170837,0.519058287143707,0.431902974843979,0.650280892848969,0.650280892848969,0.677777767181396 +"MolTrans","General","Unseen Compound","Membrane Receptor",0.729518055915833,0.484861105680466,0.647842884063721,0.511815547943115,0.424068778753281,0.645348846912384,0.645348846912384,0.564620912075043 +"MolTrans","General","Seen Compound","Kinase",0.141624569892883,0.591664016246796,0.896634936332703,0.523168921470642,0.466666668653488,0.595238089561462,0.595238089561462,0.96847414970398 +"MolTrans","General","Seen Compound","Others",0.130931109189987,0.877089619636536,0.953707575798035,0.822384417057037,0.86224490404129,0.786046504974365,0.786046504974365,0.982329845428467 +"MolTrans","General","Unseen Compound","Others",0.131207600235939,0.301673769950867,0.810373723506927,0.318584084510803,0.276923090219498,0.375,0.375,0.974484264850616 +"MolTrans","General","Unseen Compound","Kinase",0.395569086074829,0.1092728972435,0.658425688743591,0.151562497019768,0.0977822616696357,0.336805552244186,0.336805552244186,0.852844476699829 +"MolTrans","General","Seen Compound","Ion Channel",0.796167373657227,0.786358952522278,0.681568741798401,0.739076137542725,0.745591938495636,0.732673287391663,0.732673287391663,0.52358490228653 +"MolTrans","General","Unseen Compound","Non-Kinase Enzyme",0.251330494880676,0.213622272014618,0.827053368091583,0.259999990463257,0.191646188497543,0.404145091772079,0.404145091772079,0.919873356819153 +"MolTrans","General","Unseen Compound","Ion Channel",0.803983807563782,0.721155226230621,0.759302139282227,0.698181807994843,0.607594907283783,0.82051283121109,0.82051283121109,0.53383457660675 +"MolTrans","General","Seen Compound","Non-Kinase Enzyme",0.127766028046608,0.646055817604065,0.921244144439697,0.527027010917664,0.487500011920929,0.573529422283173,0.573529422283173,0.968192398548126 +"MolTrans","General","Seen Target","Nuclear Receptor",0.494373023509979,0.856043100357056,0.839501798152924,0.774723529815674,0.781887769699097,0.767689406871796,0.767689406871796,0.762004196643829 +"MolTrans","General","Unseen Target","Nuclear Receptor",0.696596682071686,0.71099179983139,0.669853508472443,0.658602178096771,0.669856488704681,0.647719740867615,0.647719740867615,0.626738786697388 +"MolTrans","General","Seen Target","Kinase",0.441718310117722,0.890178143978119,0.881763994693756,0.808515965938568,0.77809727191925,0.841409683227539,0.841409683227539,0.744269549846649 +"MolTrans","General","Unseen Target","Membrane Receptor",0.793762266635895,0.591557741165161,0.584456562995911,0.530898094177246,0.595869302749634,0.478702336549759,0.478702336549759,0.651792824268341 +"MolTrans","General","Seen Target","Membrane Receptor",0.487026065587997,0.85386711359024,0.844052076339722,0.771824181079865,0.772289156913757,0.771359801292419,0.771359801292419,0.749536156654358 +"MolTrans","General","Unseen Target","Kinase",0.761589109897614,0.645909130573273,0.659111499786377,0.572953164577484,0.604958117008209,0.544164478778839,0.544164478778839,0.665394067764282 +"MolTrans","General","Seen Target","Others",0.374929428100586,0.937801480293274,0.916413962841034,0.862962961196899,0.829365968704224,0.89939683675766,0.89939683675766,0.747697353363037 +"MolTrans","General","Unseen Target","Others",0.849328398704529,0.58038741350174,0.571009159088135,0.444512844085693,0.575528085231781,0.362086266279221,0.362086266279221,0.712239921092987 +"MolTrans","General","Seen Target","Ion Channel",0.523869633674622,0.86605566740036,0.826356887817383,0.756603240966797,0.777583181858063,0.736725687980652,0.736725687980652,0.736332178115845 +"MolTrans","General","Unseen Target","Ion Channel",0.923124313354492,0.728868722915649,0.609710037708282,0.598949193954468,0.583285987377167,0.615476906299591,0.615476906299591,0.479033410549164 +"MolTrans","General","Seen Target","Non-Kinase Enzyme",0.482432752847672,0.870700597763062,0.853662192821503,0.792311310768127,0.751946628093719,0.837255358695984,0.837255358695984,0.688373386859894 +"MolTrans","General","Unseen Target","Non-Kinase Enzyme",0.916514217853546,0.548733949661255,0.552517831325531,0.429206341505051,0.557525753974915,0.348903238773346,0.348903238773346,0.708503127098083 +"DeepConvDTI","General","Seen Compound","Nuclear Receptor",0.605217158794403,0.782597541809082,0.843749940395355,0.631578922271729,0.720000028610229,0.5625,0.5625,0.857142865657806 +"DrugVQA-Seq","General","Seen Compound","Nuclear Receptor",0.521377325057983,0.733267247676849,0.823979556560516,0.686567187309265,0.657142877578735,0.71875,0.71875,0.755102038383484 +"MGraphDTA","General","Seen Compound","Nuclear Receptor",0.46591055393219,0.80292409658432,0.901147961616516,0.699999988079071,0.75,0.65625,0.65625,0.857142865657806 +"DrugBAN","General","Seen Compound","Nuclear Receptor",0.353513211011887,0.903314471244812,0.917410731315613,0.813559293746948,0.888888895511627,0.75,0.75,0.938775539398193 +"DeepDTA","General","Seen Compound","Nuclear Receptor",0.547685861587524,0.768057823181152,0.821428596973419,0.64615386724472,0.636363625526428,0.65625,0.65625,0.755102038383484 +"DeepConvDTI","General","Unseen Compound","Nuclear Receptor",0.535093665122986,0.660061776638031,0.817725777626038,0.595744669437408,0.583333313465118,0.60869562625885,0.60869562625885,0.807692289352417 +"DrugBAN","General","Unseen Compound","Nuclear Receptor",0.6240194439888,0.605685532093048,0.793896377086639,0.60869562625885,0.60869562625885,0.60869562625885,0.60869562625885,0.826923072338104 +"DrugVQA-Seq","General","Unseen Compound","Nuclear Receptor",0.708102166652679,0.526266813278198,0.708612084388733,0.566666662693024,0.459459453821182,0.739130437374115,0.739130437374115,0.615384638309479 +"DeepDTA","General","Unseen Compound","Nuclear Receptor",0.610369801521301,0.615378856658936,0.786789357662201,0.59649121761322,0.5,0.739130437374115,0.739130437374115,0.673076927661896 +"HyperAttentionDTI","General","Unseen Compound","Nuclear Receptor",0.535395801067352,0.729284882545471,0.820234179496765,0.75,0.720000028610229,0.782608687877655,0.782608687877655,0.865384638309479 +"DeepConvDTI","General","Seen Compound","Membrane Receptor",0.390314549207687,0.74769389629364,0.880787074565887,0.699507415294647,0.702970325946808,0.696078419685364,0.696078419685364,0.895833313465118 +"MGraphDTA","General","Seen Compound","Membrane Receptor",0.411770403385162,0.731298267841339,0.866642832756042,0.699999988079071,0.714285731315613,0.686274528503418,0.686274528503418,0.902777791023254 +"MGraphDTA","General","Unseen Compound","Nuclear Receptor",0.770421802997589,0.708892405033112,0.791805982589722,0.59649121761322,0.5,0.739130437374115,0.739130437374115,0.673076927661896 +"DrugVQA-Seq","General","Seen Compound","Membrane Receptor",0.583124279975891,0.553497850894928,0.750833988189697,0.556862771511078,0.46405228972435,0.696078419685364,0.696078419685364,0.715277791023254 +"HyperAttentionDTI","General","Seen Compound","Nuclear Receptor",0.509977102279663,0.719647347927094,0.865114748477936,0.738461554050446,0.727272748947144,0.75,0.75,0.816326558589935 +"DrugBAN","General","Seen Compound","Membrane Receptor",0.403223514556885,0.800906658172607,0.890795230865479,0.675000011920929,0.58695650100708,0.794117629528046,0.794117629528046,0.802083313465118 +"DeepDTA","General","Seen Compound","Membrane Receptor",0.502961277961731,0.627939581871033,0.816465795040131,0.597402572631836,0.534883737564087,0.676470577716827,0.676470577716827,0.791666686534882 +"DeepConvDTI","General","Unseen Compound","Membrane Receptor",0.657566845417023,0.675525367259979,0.746797025203705,0.580645143985748,0.594339609146118,0.567567586898804,0.567567586898804,0.7839195728302 +"MGraphDTA","General","Unseen Compound","Membrane Receptor",0.718665063381195,0.619349241256714,0.759110867977142,0.606837630271912,0.577235758304596,0.639639616012573,0.639639616012573,0.738693475723267 +"DrugBAN","General","Unseen Compound","Membrane Receptor",0.633592367172241,0.670507848262787,0.787880837917328,0.627118647098541,0.592000007629395,0.666666686534882,0.666666686534882,0.743718564510345 +"HyperAttentionDTI","General","Seen Compound","Membrane Receptor",0.433685064315796,0.71523642539978,0.864685475826263,0.663677155971527,0.611570239067078,0.725490212440491,0.725490212440491,0.836805582046509 +"DrugVQA-Seq","General","Unseen Compound","Membrane Receptor",0.700723528862,0.490065395832062,0.651342332363129,0.5573770403862,0.511278212070465,0.61261260509491,0.61261260509491,0.673366844654083 +"DeepDTA","General","Unseen Compound","Membrane Receptor",0.733856022357941,0.511488080024719,0.646385073661804,0.51587301492691,0.460992902517319,0.585585594177246,0.585585594177246,0.618090450763702 +"MGraphDTA","General","Seen Compound","Kinase",0.075339987874031,0.63509863615036,0.951772689819336,0.657534241676331,0.648648619651794,0.666666686534882,0.666666686534882,0.986444234848022 +"HyperAttentionDTI","General","Unseen Compound","Membrane Receptor",0.550600528717041,0.74193811416626,0.803816437721252,0.669565200805664,0.647058844566345,0.693693697452545,0.693693697452545,0.788944721221924 +"DeepConvDTI","General","Seen Compound","Kinase",0.102935299277306,0.54319441318512,0.930555522441864,0.647887349128723,0.657142877578735,0.638888895511627,0.638888895511627,0.987486958503723 +"DrugVQA-Seq","General","Seen Compound","Kinase",0.135373383760452,0.530095279216766,0.890626788139343,0.514285743236542,0.529411792755127,0.5,0.5,0.983315944671631 +"DrugBAN","General","Seen Compound","Kinase",0.109920419752598,0.54476672410965,0.905761241912842,0.555555582046509,0.555555582046509,0.555555582046509,0.555555582046509,0.983315944671631 +"DeepDTA","General","Seen Compound","Kinase",0.107766352593899,0.595214009284973,0.906427383422852,0.591549277305603,0.600000023841858,0.583333313465118,0.583333313465118,0.985401451587677 +"MGraphDTA","General","Unseen Compound","Kinase",0.753912150859833,0.108577735722065,0.731742143630981,0.173913046717644,0.100358426570892,0.651162803173065,0.651162803173065,0.724780678749084 +"DeepConvDTI","General","Unseen Compound","Kinase",0.782422780990601,0.138108685612679,0.72716498374939,0.161383286118507,0.0921052619814872,0.651162803173065,0.651162803173065,0.697368443012238 +"DrugBAN","General","Unseen Compound","Kinase",0.28079417347908,0.222898542881012,0.803230822086334,0.281879186630249,0.198113203048706,0.488372087478638,0.488372087478638,0.906798243522644 +"HyperAttentionDTI","General","Seen Compound","Kinase",0.0802828073501586,0.677866697311401,0.96878981590271,0.594594597816467,0.578947365283966,0.611111104488373,0.611111104488373,0.983315944671631 +"DrugVQA-Seq","General","Unseen Compound","Kinase",0.536179006099701,0.163424000144005,0.777794778347015,0.166064977645874,0.0982905998826026,0.534883737564087,0.534883737564087,0.768640339374542 +"DeepDTA","General","Unseen Compound","Kinase",0.772294759750366,0.123017251491547,0.697355687618256,0.150819674134254,0.0877862572669982,0.534883737564087,0.534883737564087,0.737938582897186 +"MGraphDTA","General","Seen Compound","Others",0.143569499254227,0.897405385971069,0.945161700248718,0.865671634674072,0.966666638851166,0.783783793449402,0.783783793449402,0.995535731315613 +"DeepConvDTI","General","Seen Compound","Others",0.143697828054428,0.89818286895752,0.941903948783874,0.835820913314819,0.933333337306976,0.756756782531738,0.756756782531738,0.991071403026581 +"DrugBAN","General","Seen Compound","Others",0.101908162236214,0.935449481010437,0.972972929477692,0.891891896724701,0.891891896724701,0.891891896724701,0.891891896724701,0.982142865657806 +"DrugVQA-Seq","General","Seen Compound","Others",0.110548116266727,0.942583799362183,0.975868701934814,0.857142865657806,0.909090936183929,0.810810804367065,0.810810804367065,0.986607134342194 +"DeepDTA","General","Seen Compound","Others",0.124191448092461,0.916617572307587,0.947635173797607,0.869565188884735,0.9375,0.810810804367065,0.810810804367065,0.991071403026581 +"HyperAttentionDTI","General","Unseen Compound","Kinase",0.588959217071533,0.178506508469582,0.775716543197632,0.199288249015808,0.117647059261799,0.651162803173065,0.651162803173065,0.76973682641983 +"MGraphDTA","General","Unseen Compound","Others",0.76027238368988,0.0613615363836288,0.626671195030212,0.121951222419739,0.0704225376248359,0.454545468091965,0.454545468091965,0.757352948188782 +"HyperAttentionDTI","General","Seen Compound","Others",0.152759850025177,0.905154228210449,0.934121608734131,0.869565188884735,0.9375,0.810810804367065,0.810810804367065,0.991071403026581 +"DeepConvDTI","General","Unseen Compound","Others",0.65593695640564,0.0493143051862716,0.580046772956848,0.0759493634104728,0.0441176481544971,0.272727280855179,0.272727280855179,0.761029422283173 +"DrugVQA-Seq","General","Unseen Compound","Others",0.328178435564041,0.0662291496992111,0.570688486099243,0.121212124824524,0.0909090936183929,0.181818187236786,0.181818187236786,0.926470577716827 +"DrugBAN","General","Unseen Compound","Others",0.300519347190857,0.0766650140285492,0.54378342628479,0.15384615957737,0.133333340287209,0.181818187236786,0.181818187236786,0.952205896377564 +"DeepDTA","General","Unseen Compound","Others",0.512234449386597,0.0526257269084453,0.602272748947144,0.072727270424366,0.0454545468091964,0.181818187236786,0.181818187236786,0.845588207244873 +"MGraphDTA","General","Seen Compound","Non-Kinase Enzyme",0.0953860357403755,0.762340009212494,0.911954045295715,0.769230782985687,0.909090936183929,0.666666686534882,0.666666686534882,0.996551752090454 +"HyperAttentionDTI","General","Unseen Compound","Others",0.709693789482117,0.0408250615000724,0.511864960193634,0.0253164563328027,0.0147058824077248,0.0909090936183929,0.0909090936183929,0.753676474094391 +"DeepConvDTI","General","Seen Compound","Non-Kinase Enzyme",0.0966553315520286,0.723889827728271,0.897212743759155,0.745098054409027,0.904761910438538,0.633333325386047,0.633333325386047,0.996551752090454 +"DrugVQA-Seq","General","Seen Compound","Non-Kinase Enzyme",0.158861324191093,0.493100315332413,0.905890882015228,0.440677970647812,0.448275864124298,0.433333337306976,0.433333337306976,0.972413778305054 +"DrugBAN","General","Seen Compound","Non-Kinase Enzyme",0.118407964706421,0.770388185977936,0.891781628131866,0.745762705802917,0.75862067937851,0.733333349227905,0.733333349227905,0.9879310131073 +"DeepDTA","General","Seen Compound","Non-Kinase Enzyme",0.115535639226437,0.649459838867188,0.92551726102829,0.526315808296204,0.555555582046509,0.5,0.5,0.97931033372879 +"MGraphDTA","General","Unseen Compound","Non-Kinase Enzyme",0.720140516757965,0.162007480859756,0.776276826858521,0.171717166900635,0.097701147198677,0.708333313465118,0.708333313465118,0.746774196624756 +"DeepConvDTI","General","Unseen Compound","Non-Kinase Enzyme",0.686435997486115,0.248743996024132,0.756686806678772,0.152466371655464,0.0854271352291107,0.708333313465118,0.708333313465118,0.706451594829559 +"HyperAttentionDTI","General","Seen Compound","Non-Kinase Enzyme",0.089484229683876,0.793590307235718,0.900632202625275,0.792452812194824,0.91304349899292,0.699999988079071,0.699999988079071,0.996551752090454 +"DrugBAN","General","Unseen Compound","Non-Kinase Enzyme",0.374983757734299,0.448961138725281,0.882258057594299,0.263888895511627,0.158333331346512,0.791666686534882,0.791666686534882,0.837096750736237 +"DrugVQA-Seq","General","Unseen Compound","Non-Kinase Enzyme",0.332288384437561,0.224160522222519,0.824395179748535,0.293103456497192,0.184782609343529,0.708333313465118,0.708333313465118,0.879032254219055 +"DeepDTA","General","Unseen Compound","Non-Kinase Enzyme",0.576342165470123,0.191888824105263,0.797210991382599,0.183006539940834,0.108527131378651,0.583333313465118,0.583333313465118,0.814516127109528 +"MGraphDTA","General","Seen Compound","Ion Channel",0.484355747699737,0.94320160150528,0.87438428401947,0.859504103660583,0.896551728248596,0.825396835803986,0.825396835803986,0.793103456497192 +"DeepConvDTI","General","Seen Compound","Ion Channel",0.406415313482284,0.936738610267639,0.891625583171844,0.883333325386047,0.929824590682983,0.841269850730896,0.841269850730896,0.862068951129913 +"DrugBAN","General","Seen Compound","Ion Channel",0.666103303432465,0.905059099197388,0.798576891422272,0.803278684616089,0.830508470535278,0.777777791023254,0.777777791023254,0.655172407627106 +"DrugVQA-Seq","General","Seen Compound","Ion Channel",0.746661126613617,0.794339299201965,0.610290110111237,0.704918026924133,0.728813588619232,0.682539701461792,0.682539701461792,0.448275864124298 +"DeepDTA","General","Seen Compound","Ion Channel",0.719373464584351,0.855518877506256,0.72331690788269,0.783999979496002,0.790322601795197,0.777777791023254,0.777777791023254,0.551724135875702 +"MGraphDTA","General","Unseen Compound","Ion Channel",0.628426134586334,0.816944003105164,0.843883335590363,0.753623187541962,0.838709652423859,0.684210538864136,0.684210538864136,0.864864885807037 +"DeepConvDTI","General","Unseen Compound","Ion Channel",0.63601279258728,0.777180671691895,0.828591823577881,0.767123281955719,0.800000011920929,0.736842095851898,0.736842095851898,0.810810804367065 +"HyperAttentionDTI","General","Seen Compound","Ion Channel",0.657495141029358,0.904791235923767,0.830049216747284,0.861538469791412,0.835820913314819,0.888888895511627,0.888888895511627,0.620689630508423 +"DrugVQA-Seq","General","Unseen Compound","Ion Channel",0.951710999011993,0.594015538692474,0.56472259759903,0.610526323318481,0.508771955966949,0.763157904148102,0.763157904148102,0.243243247270584 +"DrugBAN","General","Unseen Compound","Ion Channel",0.433139532804489,0.872603714466095,0.892247498035431,0.826666653156281,0.837837815284729,0.815789461135864,0.815789461135864,0.837837815284729 +"DeepDTA","General","Unseen Compound","Ion Channel",0.808440268039703,0.684254348278046,0.716216206550598,0.74698793888092,0.688888907432556,0.815789461135864,0.815789461135864,0.621621608734131 +"HyperAttentionDTI","General","Unseen Compound","Non-Kinase Enzyme",0.463874012231827,0.226201891899109,0.806552410125732,0.20645160973072,0.122137404978275,0.666666686534882,0.666666686534882,0.814516127109528 +"HyperAttentionDTI","General","Unseen Compound","Ion Channel",0.716459631919861,0.75506579875946,0.807254612445831,0.800000011920929,0.723404228687286,0.89473682641983,0.89473682641983,0.648648619651794 +"DeepDTA","General","Seen Target","Nuclear Receptor",0.54796302318573,0.82712197303772,0.82297021150589,0.745689630508423,0.73617023229599,0.755458533763885,0.755458533763885,0.725663721561432 +"DrugVQA-Seq","General","Seen Target","Nuclear Receptor",0.570585489273071,0.822870373725891,0.804295301437378,0.742738604545593,0.707509875297546,0.781659364700317,0.781659364700317,0.67256635427475 +"DeepConvDTI","General","Seen Target","Nuclear Receptor",0.381561517715454,0.91518372297287,0.917291343212128,0.841437637805939,0.815573751926422,0.868995606899261,0.868995606899261,0.800884962081909 +"MGraphDTA","General","Seen Target","Nuclear Receptor",0.403895497322083,0.911349594593048,0.911214590072632,0.825327515602112,0.825327515602112,0.825327515602112,0.825327515602112,0.823008835315704 +"MGraphDTA","General","Unseen Target","Nuclear Receptor",0.936758518218994,0.759364604949951,0.722982943058014,0.577114403247833,0.720496892929077,0.481327801942825,0.481327801942825,0.75 +"DeepConvDTI","General","Unseen Target","Nuclear Receptor",0.57834655046463,0.833374977111816,0.807860791683197,0.720357954502106,0.781553387641907,0.668049812316895,0.668049812316895,0.75 +"DrugVQA-Seq","General","Unseen Target","Nuclear Receptor",0.67798113822937,0.753321349620819,0.703204274177551,0.659038901329041,0.734693884849548,0.597510397434235,0.597510397434235,0.711111128330231 +"DrugBAN","General","Seen Target","Nuclear Receptor",0.444718450307846,0.885833323001862,0.89006644487381,0.816777050495148,0.825892865657806,0.807860255241394,0.807860255241394,0.82743364572525 +"DeepDTA","General","Unseen Target","Nuclear Receptor",0.817074596881866,0.747761964797974,0.69248503446579,0.586206912994385,0.721212148666382,0.493775933980942,0.493775933980942,0.74444442987442 +"DrugBAN","General","Unseen Target","Nuclear Receptor",1.04991745948792,0.691430807113647,0.634324550628662,0.525510191917419,0.682119190692902,0.427385896444321,0.427385896444321,0.733333349227905 +"HyperAttentionDTI","General","Seen Target","Nuclear Receptor",0.381065964698792,0.918603956699371,0.920479536056519,0.836134433746338,0.805667996406555,0.868995606899261,0.868995606899261,0.787610590457916 +"MGraphDTA","General","Seen Target","Membrane Receptor",0.282814115285873,0.9557324051857,0.952313423156738,0.881219923496246,0.884057998657227,0.878400027751923,0.878400027751923,0.872340440750122 +"DeepDTA","General","Seen Target","Membrane Receptor",0.491490036249161,0.855886161327362,0.848814189434052,0.770465493202209,0.772946834564209,0.76800000667572,0.76800000667572,0.75 +"DrugVQA-Seq","General","Seen Target","Membrane Receptor",0.567830383777618,0.8061403632164,0.782748937606812,0.728385627269745,0.697947204113007,0.761600017547607,0.761600017547607,0.634751796722412 +"DeepConvDTI","General","Seen Target","Membrane Receptor",0.318641543388367,0.950831234455109,0.942260980606079,0.872093021869659,0.906735777854919,0.839999973773956,0.839999973773956,0.904255330562592 +"HyperAttentionDTI","General","Unseen Target","Nuclear Receptor",0.99916136264801,0.789296448230743,0.707987546920776,0.668161451816559,0.726829290390015,0.618257284164429,0.618257284164429,0.688888907432556 +"MGraphDTA","General","Unseen Target","Membrane Receptor",0.966876924037933,0.667315185070038,0.704279184341431,0.606870234012604,0.709821403026581,0.529999971389771,0.529999971389771,0.771929800510406 +"DeepConvDTI","General","Unseen Target","Membrane Receptor",0.879958271980286,0.656734228134155,0.67451024055481,0.617173552513123,0.666023194789886,0.574999988079071,0.574999988079071,0.696491241455078 +"DrugVQA-Seq","General","Unseen Target","Membrane Receptor",0.857005059719086,0.61642462015152,0.62817394733429,0.571692883968353,0.642411649227142,0.514999985694885,0.514999985694885,0.698245584964752 +"DrugBAN","General","Seen Target","Membrane Receptor",0.307572871446609,0.950291991233826,0.944967448711395,0.862295091152191,0.884033620357513,0.841600000858307,0.841600000858307,0.877659559249878 +"DeepDTA","General","Unseen Target","Membrane Receptor",0.82879763841629,0.620925664901733,0.613866925239563,0.58721935749054,0.609318971633911,0.566666662693024,0.566666662693024,0.617543876171112 +"MGraphDTA","General","Seen Target","Kinase",0.308909088373184,0.943176805973053,0.94520914554596,0.886666655540466,0.87933886051178,0.894117653369904,0.894117653369904,0.861480057239532 +"DeepConvDTI","General","Seen Target","Kinase",0.312271386384964,0.948693335056305,0.945815026760101,0.884210526943207,0.853124976158142,0.917647063732147,0.917647063732147,0.821631848812103 +"DrugBAN","General","Unseen Target","Membrane Receptor",0.915666341781616,0.625291228294373,0.612228035926819,0.569432318210602,0.598165154457092,0.543333351612091,0.543333351612091,0.615789473056793 +"DrugVQA-Seq","General","Seen Target","Kinase",0.486087530851364,0.86787223815918,0.858153820037842,0.796084821224213,0.773375570774078,0.820168077945709,0.820168077945709,0.728652775287628 +"DeepDTA","General","Seen Target","Kinase",0.485657006502151,0.8787881731987,0.871088922023773,0.807189524173737,0.785373628139496,0.830252110958099,0.830252110958099,0.743833005428314 +"HyperAttentionDTI","General","Seen Target","Membrane Receptor",0.302826136350632,0.946580111980438,0.945292174816132,0.886581480503082,0.885167479515076,0.888000011444092,0.888000011444092,0.872340440750122 +"MGraphDTA","General","Unseen Target","Kinase",1.43725550174713,0.664630949497223,0.664512276649475,0.379263311624527,0.694999992847443,0.26078799366951,0.26078799366951,0.885981321334839 +"DrugBAN","General","Seen Target","Kinase",0.355966508388519,0.937500238418579,0.935249447822571,0.845070421695709,0.887245833873749,0.806722700595856,0.806722700595856,0.884250462055206 +"DrugVQA-Seq","General","Unseen Target","Kinase",0.861864149570465,0.679435431957245,0.671098172664642,0.557158708572388,0.682065188884735,0.4709193110466,0.4709193110466,0.78130841255188 +"DeepConvDTI","General","Unseen Target","Kinase",1.12266254425049,0.646306812763214,0.664347529411316,0.483909428119659,0.663398683071136,0.380863040685654,0.380863040685654,0.80747663974762 +"DeepDTA","General","Unseen Target","Kinase",0.847513616085052,0.680763006210327,0.717231035232544,0.622916638851166,0.700234174728394,0.560975611209869,0.560975611209869,0.760747671127319 +"HyperAttentionDTI","General","Unseen Target","Membrane Receptor",1.00248539447784,0.607580661773682,0.630595028400421,0.617573201656342,0.620168089866638,0.615000009536743,0.615000009536743,0.603508770465851 +"MGraphDTA","General","Seen Target","Others",0.27615961432457,0.967726290225983,0.961047470569611,0.916599214076996,0.911433160305023,0.921824097633362,0.921824097633362,0.881209492683411 +"DeepConvDTI","General","Seen Target","Others",0.251793950796127,0.972371220588684,0.963539719581604,0.905073642730713,0.909539461135864,0.900651454925537,0.900651454925537,0.881209492683411 +"DrugBAN","General","Unseen Target","Kinase",1.38983631134033,0.629795551300049,0.646357178688049,0.330484330654144,0.686390519142151,0.21763601899147,0.21763601899147,0.90093457698822 +"HyperAttentionDTI","General","Seen Target","Kinase",0.324231266975403,0.937901377677918,0.939728617668152,0.877768635749817,0.857371807098389,0.899159669876099,0.899159669876099,0.831119537353516 +"DrugVQA-Seq","General","Seen Target","Others",0.423330754041672,0.913003385066986,0.887576401233673,0.834138512611389,0.824840784072876,0.843648195266724,0.843648195266724,0.762418985366821 +"DeepDTA","General","Seen Target","Others",0.387940853834152,0.934937238693237,0.913075685501099,0.854132890701294,0.850000023841858,0.858306169509888,0.858306169509888,0.79913604259491 +"MGraphDTA","General","Unseen Target","Others",1.1855982542038,0.590545892715454,0.645716726779938,0.564814805984497,0.592233002185822,0.539822995662689,0.539822995662689,0.642857134342194 +"DrugBAN","General","Seen Target","Others",0.299125075340271,0.963379621505737,0.952418744564056,0.894136786460876,0.894136786460876,0.894136786460876,0.894136786460876,0.859611213207245 +"DeepConvDTI","General","Unseen Target","Others",1.20533311367035,0.554899513721466,0.584586977958679,0.539449512958527,0.560000002384186,0.520353972911835,0.520353972911835,0.607142865657806 +"DrugVQA-Seq","General","Unseen Target","Others",0.887273669242859,0.662197768688202,0.656632661819458,0.595197260379791,0.577371060848236,0.614159286022186,0.614159286022186,0.568027198314667 +"DeepDTA","General","Unseen Target","Others",1.05541753768921,0.62333619594574,0.608045935630798,0.548068284988403,0.556569337844849,0.539822995662689,0.539822995662689,0.586734712123871 +"HyperAttentionDTI","General","Unseen Target","Kinase",1.23548114299774,0.700213611125946,0.676095426082611,0.553881824016571,0.724242448806763,0.448405265808105,0.448405265808105,0.829906523227692 +"MGraphDTA","General","Seen Target","Non-Kinase Enzyme",0.348050951957703,0.939694404602051,0.937516927719116,0.878859877586365,0.847328245639801,0.912828922271728,0.912828922271728,0.812734067440033 +"DrugBAN","General","Unseen Target","Others",1.05547106266022,0.645750403404236,0.676628410816193,0.565349519252777,0.661137461662292,0.493805319070816,0.493805319070816,0.75680273771286 +"DeepConvDTI","General","Seen Target","Non-Kinase Enzyme",0.367967516183853,0.931703984737396,0.925871312618256,0.844519972801208,0.873462200164795,0.817434191703796,0.817434191703796,0.865168511867523 +"DrugVQA-Seq","General","Seen Target","Non-Kinase Enzyme",0.53464549779892,0.829161465167999,0.819032669067383,0.74536257982254,0.764705896377563,0.726973712444305,0.726973712444305,0.745318353176117 +"DeepDTA","General","Seen Target","Non-Kinase Enzyme",0.518627941608429,0.844370067119598,0.831782519817352,0.775903642177582,0.758241772651672,0.794407904148102,0.794407904148102,0.711610496044159 +"HyperAttentionDTI","General","Seen Target","Others",0.297013103961945,0.962367057800293,0.954849481582642,0.900316476821899,0.875384628772736,0.926710069179535,0.926710069179535,0.825053989887238 +"MGraphDTA","General","Unseen Target","Non-Kinase Enzyme",1.29114210605621,0.628503680229187,0.634103178977966,0.570605158805847,0.662946403026581,0.500843167304993,0.500843167304993,0.720370352268219 +"DrugBAN","General","Seen Target","Non-Kinase Enzyme",0.374186426401138,0.918587028980255,0.921439170837402,0.862777292728424,0.862068951129913,0.86348682641983,0.86348682641983,0.842696607112885 +"DeepConvDTI","General","Unseen Target","Non-Kinase Enzyme",1.31032562255859,0.591212749481201,0.583378672599792,0.455696195363998,0.608450710773468,0.364249587059021,0.364249587059021,0.742592573165894 +"DrugVQA-Seq","General","Unseen Target","Non-Kinase Enzyme",0.840724647045135,0.624872088432312,0.610088348388672,0.487394958734512,0.646239578723907,0.391231030225754,0.391231030225754,0.764814794063568 +"DeepDTA","General","Unseen Target","Non-Kinase Enzyme",1.12708377838135,0.608057737350464,0.571513295173645,0.408529728651047,0.610738277435303,0.306914001703262,0.306914001703262,0.785185158252716 +"HyperAttentionDTI","General","Unseen Target","Others",0.902477979660034,0.673494935035706,0.686435222625732,0.637706339359283,0.626279890537262,0.649557530879974,0.649557530879974,0.627551019191742 +"MGraphDTA","General","Seen Target","Ion Channel",0.472831696271896,0.914712071418762,0.908864557743072,0.844202876091003,0.811846673488617,0.879245281219482,0.879245281219482,0.756756782531738 +"DrugBAN","General","Unseen Target","Non-Kinase Enzyme",1.43640267848969,0.585037708282471,0.572748422622681,0.394176930189133,0.586666643619537,0.296795964241028,0.296795964241028,0.770370364189148 +"DeepConvDTI","General","Seen Target","Ion Channel",0.440180569887161,0.922419428825378,0.898495674133301,0.832369923591614,0.850393712520599,0.815094351768494,0.815094351768494,0.828828811645508 +"DrugVQA-Seq","General","Seen Target","Ion Channel",0.551782429218292,0.848684310913086,0.808813571929932,0.771757006645203,0.683139562606812,0.886792480945587,0.886792480945587,0.509009003639221 +"DeepDTA","General","Seen Target","Ion Channel",0.514606535434723,0.859992265701294,0.832262456417084,0.760076761245728,0.7734375,0.74716979265213,0.74716979265213,0.738738715648651 +"HyperAttentionDTI","General","Seen Target","Non-Kinase Enzyme",0.354064047336578,0.931309461593628,0.929042160511017,0.867924511432648,0.865793764591217,0.870065808296204,0.870065808296204,0.846441924571991 +"MGraphDTA","General","Unseen Target","Ion Channel",1.0433896780014,0.775926411151886,0.669751405715942,0.648148119449615,0.629496395587921,0.667938947677612,0.667938947677612,0.482412070035934 +"DrugBAN","General","Seen Target","Ion Channel",0.404359489679336,0.921830058097839,0.917032122612,0.85130113363266,0.838827848434448,0.864150941371918,0.864150941371918,0.801801800727844 +"DeepConvDTI","General","Unseen Target","Ion Channel",0.786083936691284,0.804875493049622,0.723953723907471,0.684931516647339,0.702811241149902,0.667938947677612,0.667938947677612,0.628140687942505 +"DrugVQA-Seq","General","Unseen Target","Ion Channel",0.747198402881622,0.801708579063416,0.700707733631134,0.639676094055176,0.681034505367279,0.603053450584412,0.603053450584412,0.628140687942505 +"DeepDTA","General","Unseen Target","Ion Channel",1.13899230957031,0.731578528881073,0.616316318511963,0.58222222328186,0.696808516979218,0.5,0.5,0.713567852973938 +"HyperAttentionDTI","General","Seen Target","Ion Channel",0.395417064428329,0.931471168994904,0.923313021659851,0.858156025409698,0.809364557266235,0.913207530975342,0.913207530975342,0.743243217468262 +"DrugBAN","General","Unseen Target","Ion Channel",1.09344053268433,0.72399628162384,0.638459444046021,0.627599239349365,0.621722817420959,0.633587777614594,0.633587777614594,0.492462307214737 +"HyperAttentionDTI","General","Unseen Target","Non-Kinase Enzyme",1.10071980953217,0.616324961185455,0.610180497169495,0.512562811374664,0.634328365325928,0.430016875267029,0.430016875267029,0.727777779102325 +"HyperAttentionDTI","General","Unseen Target","Ion Channel",1.02318871021271,0.772879958152771,0.682295024394989,0.704467356204987,0.640625,0.7824427485466,0.7824427485466,0.422110557556152 +"GraphDTA","General","Seen Compound","All Families",0.26754492521286,0.409910470247269,0.857111096382141,0.407444328069687,0.427475601434708,0.389206349849701,0.389206349849701,0.945744097232819 +"DeepDTA","General","Seen Compound","All Families",0.204808756709099,0.589885652065277,0.900840759277344,0.571428596973419,0.57534247636795,0.567567586898804,0.567567586898804,0.959281980991364 +"DrugVQA-Seq","General","Seen Compound","All Families",0.229189231991768,0.530489385128021,0.894078075885773,0.519313275814056,0.495901644229889,0.545045018196106,0.545045018196106,0.946147084236145 +"DeepConvDTI","General","Seen Compound","All Families",0.163358494639397,0.692301630973816,0.922594130039215,0.648379027843475,0.726256966590881,0.585585594177246,0.585585594177246,0.978546380996704 +"MGraphDTA","General","Seen Compound","All Families",0.172416239976883,0.670543789863586,0.927119314670563,0.639024376869202,0.696808516979218,0.590090095996857,0.590090095996857,0.975043773651123 +"DeepDTA","General","Unseen Compound","All Families",0.75650429725647,0.141859039664268,0.698758959770203,0.217965647578239,0.135245904326439,0.561224460601807,0.561224460601807,0.716016173362732 +"DrugBAN","General","Seen Compound","All Families",0.203068867325783,0.638504147529602,0.912757754325867,0.622129440307617,0.579766511917114,0.671171188354492,0.671171188354492,0.952714562416077 +"DrugVQA-Seq","General","Unseen Compound","All Families",0.546729862689972,0.155445218086243,0.747574627399445,0.257918566465378,0.165697678923607,0.581632673740387,0.581632673740387,0.768236875534058 +"MGraphDTA","General","Unseen Compound","All Families",0.783033072948456,0.161122143268585,0.73163628578186,0.243542432785034,0.148648649454117,0.673469364643097,0.673469364643097,0.694751024246216 +"DeepConvDTI","General","Unseen Compound","All Families",0.798937082290649,0.171730801463127,0.688067376613617,0.195094123482704,0.117203563451767,0.581632673740387,0.581632673740387,0.653297424316406 +"DrugBAN","General","Unseen Compound","All Families",0.386776328086853,0.362141817808151,0.840009212493896,0.363636374473572,0.25626739859581,0.625850319862366,0.625850319862366,0.856258392333984 +"MGraphDTA","General","Seen Target","All Families",0.323133617639542,0.946430444717407,0.942913889884949,0.883260667324066,0.870989084243774,0.895882964134216,0.895882964134216,0.844559609889984 +"HyperAttentionDTI","General","Seen Compound","All Families",0.16547666490078,0.722107529640198,0.932718396186829,0.657534241676331,0.666666686534882,0.648648619651794,0.648648619651794,0.968476355075836 +"DeepDTA","General","Seen Target","All Families",0.491305977106094,0.871418356895447,0.856671154499054,0.796383142471313,0.784042179584503,0.809118747711182,0.809118747711182,0.738939821720123 +"DrugVQA-Seq","General","Seen Target","All Families",0.513678550720215,0.854370474815369,0.831187844276428,0.772046566009521,0.755454242229462,0.789384126663208,0.789384126663208,0.700677573680878 +"DeepConvDTI","General","Seen Target","All Families",0.348540931940079,0.940467357635498,0.932687640190124,0.866849720478058,0.874350965023041,0.859476029872894,0.859476029872894,0.855320870876312 +"HyperAttentionDTI","General","Unseen Compound","All Families",0.645896434783936,0.207358121871948,0.779468655586243,0.275815218687057,0.172325983643532,0.690476179122925,0.690476179122925,0.737550497055054 +"MGraphDTA","General","Unseen Target","All Families",1.18107545375824,0.637087225914001,0.656893193721771,0.549386560916901,0.63970947265625,0.48141399025917,0.48141399025917,0.720615863800049 +"DeepDTA","General","Unseen Target","All Families",0.995185375213623,0.621964037418365,0.614420771598816,0.535750687122345,0.607390284538269,0.479227393865585,0.479227393865585,0.680811107158661 +"DrugBAN","General","Seen Target","All Families",0.32879501581192,0.944306075572968,0.938732147216797,0.868735909461975,0.885784983634949,0.85233074426651,0.85233074426651,0.871263444423676 +"DrugVQA-Seq","General","Unseen Target","All Families",0.872796893119812,0.641125798225403,0.624135375022888,0.556775093078613,0.615350663661957,0.508381903171539,0.508381903171539,0.672549784183502 +"DeepConvDTI","General","Unseen Target","All Families",1.1492440700531,0.613757967948914,0.611933350563049,0.529034912586212,0.610978543758392,0.466472297906876,0.466472297906876,0.693954169750214 +"DrugBAN","General","Unseen Target","All Families",1.16302061080933,0.617261707782745,0.621902763843536,0.5118687748909,0.627513229846954,0.432215750217438,0.432215750217438,0.735636472702026 +"HyperAttentionDTI","General","Seen Target","All Families",0.334293007850647,0.943090796470642,0.937374114990234,0.877908945083618,0.870277523994446,0.885675370693207,0.885675370693207,0.845356702804565 +"HyperAttentionDTI","General","Unseen Target","All Families",1.08605897426605,0.63102400302887,0.627217173576355,0.576653718948364,0.618530869483948,0.540087461471558,0.540087461471558,0.65677809715271 +"DeepDTA","Family","Unseen Target","Kinase",0.77960866689682,0.726316809654236,0.75186824798584,0.541317343711853,0.748344361782074,0.424015015363693,0.424015015363693,0.857943952083588 +"HyperAttentionDTI","Family","Unseen Target","Kinase",0.993044078350067,0.71123206615448,0.736904501914978,0.469543159008026,0.725490212440491,0.347091943025589,0.347091943025589,0.869158864021301 +"DeepConvDTI","Family","Unseen Target","Kinase",1.30101883411407,0.680917203426361,0.654743909835815,0.455242961645126,0.714859426021576,0.333958715200424,0.333958715200424,0.86728972196579 +"MGraphDTA","Family","Unseen Target","Kinase",1.59026050567627,0.667116284370422,0.65990424156189,0.368200838565826,0.717391312122345,0.247654780745506,0.247654780745506,0.902803719043732 +"DrugVQA-Seq","Family","Unseen Target","Kinase",1.07500731945038,0.670138299465179,0.676993191242218,0.386740326881409,0.732984304428101,0.262664169073105,0.262664169073105,0.904672920703888 +"GraphDTA","Family","Unseen Target","Kinase",1.04643964767456,0.635556101799011,0.64204204082489,0.370786517858505,0.737430155277252,0.247654780745506,0.247654780745506,0.912149548530579 +"DrugBAN","Family","Unseen Target","Kinase",1.63420426845551,0.641866326332092,0.669858515262604,0.147008553147316,0.826923072338104,0.0806754231452941,0.0806754231452941,0.983177542686462 +"DeepDTA","Family","Seen Target","Membrane Receptor",0.596957087516785,0.767989099025726,0.74905252456665,0.667248904705048,0.734615385532379,0.611199975013733,0.611199975013733,0.755319178104401 +"HyperAttentionDTI","Family","Seen Target","Membrane Receptor",0.328866332769394,0.93900054693222,0.937570154666901,0.871125638484955,0.888519108295441,0.854399979114532,0.854399979114532,0.881205677986145 +"DeepDTA","Family","Unseen Target","Membrane Receptor",0.73801976442337,0.627227008342743,0.639837741851807,0.553398072719574,0.662790715694427,0.474999994039536,0.474999994039536,0.745614051818848 +"DrugVQA-Seq","Family","Seen Target","Membrane Receptor",0.608156681060791,0.758138477802277,0.731397151947021,0.688422679901123,0.669184267520905,0.70880001783371,0.70880001783371,0.611702144145966 +"GraphDTA","Family","Seen Target","Membrane Receptor",0.589722216129303,0.778309345245361,0.772607088088989,0.651079118251801,0.743326485157013,0.579200029373169,0.579200029373169,0.778368771076202 +"DeepConvDTI","Family","Seen Target","Membrane Receptor",0.282337546348572,0.957089245319366,0.952412843704224,0.882926821708679,0.897520661354065,0.868799984455109,0.868799984455109,0.890070915222168 +"MGraphDTA","Family","Seen Target","Membrane Receptor",0.312985509634018,0.943740606307983,0.940973043441772,0.869701743125916,0.853620946407318,0.886399984359741,0.886399984359741,0.831560254096985 +"DrugBAN","Family","Seen Target","Membrane Receptor",0.429305732250214,0.925117909908295,0.913073778152466,0.799642205238342,0.906693696975708,0.715200006961823,0.715200006961823,0.918439745903015 +"DeepDTA","Family","Seen Compound","Membrane Receptor",0.425161689519882,0.696707725524902,0.848464727401733,0.611398935317993,0.648351669311523,0.578431367874146,0.578431367874146,0.888888895511627 +"HyperAttentionDTI","Family","Unseen Target","Membrane Receptor",0.80414891242981,0.691056728363037,0.718633055686951,0.637837827205658,0.694117665290833,0.589999973773956,0.589999973773956,0.726315796375275 +"DeepConvDTI","Family","Unseen Target","Membrane Receptor",0.936667442321777,0.665060520172119,0.676861166954041,0.579710125923157,0.689655184745789,0.5,0.5,0.763157904148102 +"DrugVQA-Seq","Family","Unseen Target","Membrane Receptor",0.717468559741974,0.633049249649048,0.625739753246307,0.605704724788666,0.609797298908234,0.601666688919067,0.601666688919067,0.594736814498901 +"GraphDTA","Family","Unseen Target","Membrane Receptor",0.79388165473938,0.564233124256134,0.560919582843781,0.424947142601013,0.580924868583679,0.33500000834465,0.33500000834465,0.745614051818848 +"GraphDTA","Family","Seen Compound","Membrane Receptor",0.548200488090515,0.488716125488281,0.74940425157547,0.516666650772095,0.449275374412537,0.607843160629272,0.607843160629272,0.736111104488373 +"MGraphDTA","Family","Unseen Target","Membrane Receptor",0.852499783039093,0.635170698165894,0.658482432365417,0.60251796245575,0.654296875,0.558333337306976,0.558333337306976,0.689473688602448 +"DrugBAN","Family","Unseen Target","Membrane Receptor",0.839428842067719,0.626470923423767,0.647340655326843,0.487654328346252,0.637096762657166,0.395000010728836,0.395000010728836,0.763157904148102 +"HyperAttentionDTI","Family","Seen Compound","Membrane Receptor",0.40589502453804,0.750547587871552,0.87054055929184,0.639999985694885,0.653061211109161,0.627451002597809,0.627451002597809,0.881944417953491 +"DeepConvDTI","Family","Seen Compound","Membrane Receptor",0.388828843832016,0.722694993019104,0.881246566772461,0.694835662841797,0.666666686534882,0.725490212440491,0.725490212440491,0.871527791023254 +"MGraphDTA","Family","Seen Compound","Membrane Receptor",0.466150224208832,0.633044540882111,0.839069247245789,0.655021846294403,0.590551197528839,0.735294103622437,0.735294103622437,0.819444417953491 +"DeepDTA","Family","Unseen Compound","Membrane Receptor",0.636206805706024,0.528154373168945,0.678278803825378,0.515837132930756,0.518181800842285,0.513513505458832,0.513513505458832,0.733668327331543 +"HyperAttentionDTI","Family","Unseen Compound","Membrane Receptor",0.650201737880707,0.681057572364807,0.779799938201904,0.642276406288147,0.585185170173645,0.711711704730988,0.711711704730988,0.718592941761017 +"GraphDTA","Family","Unseen Compound","Membrane Receptor",0.665140151977539,0.449039816856384,0.633392214775085,0.398009955883026,0.444444447755814,0.360360354185104,0.360360354185104,0.748743712902069 +"DrugVQA-Seq","Family","Seen Compound","Membrane Receptor",0.703678250312805,0.499007523059845,0.749761700630188,0.514285743236542,0.380281686782837,0.794117629528046,0.794117629528046,0.541666686534882 +"DrugBAN","Family","Seen Compound","Membrane Receptor",0.427833825349808,0.664284408092499,0.839767158031464,0.611398935317993,0.648351669311523,0.578431367874146,0.578431367874146,0.888888895511627 +"DrugVQA-Seq","Family","Unseen Compound","Membrane Receptor",0.669595718383789,0.647030353546143,0.722259998321533,0.559440553188324,0.457142859697342,0.720720708370209,0.720720708370209,0.522613048553467 +"DeepConvDTI","Family","Unseen Compound","Membrane Receptor",0.644085168838501,0.629495561122894,0.752184391021729,0.574999988079071,0.534883737564087,0.621621608734131,0.621621608734131,0.698492467403412 +"MGraphDTA","Family","Unseen Compound","Membrane Receptor",0.676738739013672,0.586594045162201,0.750192403793335,0.630036652088165,0.530864179134369,0.774774789810181,0.774774789810181,0.618090450763702 +"DrugBAN","Family","Unseen Compound","Membrane Receptor",0.603235483169556,0.645411729812622,0.778690814971924,0.595348834991455,0.615384638309479,0.576576590538025,0.576576590538025,0.798994958400726 +"DeepDTA","Family","Seen Target","Nuclear Receptor",0.553020536899567,0.828079700469971,0.803406476974487,0.75,0.728395044803619,0.772925734519958,0.772925734519958,0.707964599132538 +"DrugVQA-Seq","Family","Seen Target","Nuclear Receptor",0.551713287830353,0.811908185482025,0.801010549068451,0.714912295341492,0.718061685562134,0.711790382862091,0.711790382862091,0.716814160346985 +"HyperAttentionDTI","Family","Seen Target","Nuclear Receptor",0.408196985721588,0.907185673713684,0.908103704452515,0.835117757320404,0.819327712059021,0.851528406143188,0.851528406143188,0.809734523296356 +"DeepConvDTI","Family","Seen Target","Nuclear Receptor",0.378742337226868,0.915302455425262,0.916779398918152,0.841437637805939,0.815573751926422,0.868995606899261,0.868995606899261,0.800884962081909 +"GraphDTA","Family","Unseen Target","Nuclear Receptor",0.837859570980072,0.656470060348511,0.585857510566711,0.4375,0.693693697452545,0.319502085447311,0.319502085447311,0.811111092567444 +"GraphDTA","Family","Seen Target","Nuclear Receptor",0.533356547355652,0.816929519176483,0.803966879844666,0.717592597007751,0.763546824455261,0.6768559217453,0.6768559217453,0.787610590457916 +"MGraphDTA","Family","Seen Target","Nuclear Receptor",0.444548785686493,0.889645218849182,0.88384473323822,0.811965823173523,0.794979095458984,0.829694330692291,0.829694330692291,0.783185839653015 +"DrugBAN","Family","Seen Target","Nuclear Receptor",0.443607807159424,0.878555774688721,0.893380224704742,0.806306302547455,0.832558155059814,0.781659364700317,0.781659364700317,0.840707957744598 +"DeepDTA","Family","Unseen Target","Nuclear Receptor",0.736508429050446,0.712013065814972,0.654552817344666,0.603325426578522,0.705555558204651,0.526970982551575,0.526970982551575,0.705555558204651 +"HyperAttentionDTI","Family","Unseen Target","Nuclear Receptor",0.872764885425568,0.809419393539429,0.731154918670654,0.68085104227066,0.791208803653717,0.597510397434235,0.597510397434235,0.788888871669769 +"DeepConvDTI","Family","Unseen Target","Nuclear Receptor",0.935045540332794,0.813093066215515,0.709762573242188,0.65174126625061,0.813664615154266,0.54356849193573,0.54356849193573,0.833333313465118 +"DrugVQA-Seq","Family","Unseen Target","Nuclear Receptor",0.855459570884705,0.698145985603333,0.615225911140442,0.600000023841858,0.682539701461792,0.535269737243652,0.535269737243652,0.666666686534882 +"MGraphDTA","Family","Unseen Target","Nuclear Receptor",0.79226142168045,0.805919051170349,0.750380396842957,0.632098793983459,0.780487775802612,0.531120359897614,0.531120359897614,0.800000011920929 +"GraphDTA","Family","Seen Compound","Nuclear Receptor",0.521237909793854,0.741440057754517,0.802933692932129,0.586206912994385,0.653846144676208,0.53125,0.53125,0.816326558589935 +"HyperAttentionDTI","Family","Seen Compound","Nuclear Receptor",0.479002773761749,0.758278608322144,0.85650509595871,0.688524603843689,0.724137902259827,0.65625,0.65625,0.836734712123871 +"DrugBAN","Family","Unseen Target","Nuclear Receptor",1.45780909061432,0.663281798362732,0.607169210910797,0.396501451730728,0.666666686534882,0.282157689332962,0.282157689332962,0.811111092567444 +"DrugVQA-Seq","Family","Seen Compound","Nuclear Receptor",0.574486494064331,0.671287178993225,0.761798501014709,0.59375,0.59375,0.59375,0.59375,0.734693884849548 +"DeepDTA","Family","Seen Compound","Nuclear Receptor",0.613589525222778,0.659320116043091,0.730229616165161,0.657534241676331,0.585365831851959,0.75,0.75,0.653061211109161 +"DeepConvDTI","Family","Seen Compound","Nuclear Receptor",0.576923608779907,0.715439677238464,0.786352038383484,0.566666662693024,0.607142865657806,0.53125,0.53125,0.775510191917419 +"MGraphDTA","Family","Seen Compound","Nuclear Receptor",0.718469202518463,0.556653916835785,0.723214268684387,0.657142877578735,0.60526317358017,0.71875,0.71875,0.693877577781677 +"DrugBAN","Family","Seen Compound","Nuclear Receptor",0.418248265981674,0.858509123325348,0.907206594944,0.736842095851898,0.839999973773956,0.65625,0.65625,0.918367326259613 +"DrugVQA-Seq","Family","Unseen Compound","Nuclear Receptor",0.540028095245361,0.630536496639252,0.77717387676239,0.60869562625885,0.60869562625885,0.60869562625885,0.60869562625885,0.826923072338104 +"HyperAttentionDTI","Family","Unseen Compound","Nuclear Receptor",0.537218749523163,0.597133636474609,0.812290966510773,0.639999985694885,0.592592597007751,0.695652186870575,0.695652186870575,0.788461565971375 +"DeepDTA","Family","Unseen Compound","Nuclear Receptor",0.597332358360291,0.599571704864502,0.74498325586319,0.551724135875702,0.457142859697342,0.695652186870575,0.695652186870575,0.634615361690521 +"DeepConvDTI","Family","Unseen Compound","Nuclear Receptor",0.420051753520966,0.771629393100739,0.862876176834106,0.711111128330231,0.727272748947144,0.695652186870575,0.695652186870575,0.884615361690521 +"MGraphDTA","Family","Unseen Compound","Nuclear Receptor",0.62311851978302,0.646905064582825,0.785953164100647,0.607142865657806,0.515151500701904,0.739130437374115,0.739130437374115,0.692307710647583 +"DrugBAN","Family","Unseen Compound","Nuclear Receptor",0.561362087726593,0.687841892242432,0.838628768920898,0.666666686534882,0.639999985694885,0.695652186870575,0.695652186870575,0.826923072338104 +"GraphDTA","Family","Unseen Compound","Nuclear Receptor",0.617882013320923,0.549072563648224,0.709866225719452,0.519999980926514,0.481481492519379,0.56521737575531,0.56521737575531,0.730769217014313 +"DrugBAN","Family","Seen Compound","Non-Kinase Enzyme",0.140758886933327,0.672489702701569,0.934626460075378,0.555555582046509,0.476190477609634,0.666666686534882,0.666666686534882,0.962068974971771 +"MGraphDTA","Family","Seen Compound","Non-Kinase Enzyme",0.138617739081383,0.748196303844452,0.885258555412292,0.656716406345367,0.594594597816467,0.733333349227905,0.733333349227905,0.974137902259827 +"DeepDTA","Family","Seen Compound","Non-Kinase Enzyme",0.163161858916283,0.504517555236816,0.892442524433136,0.444444447755814,0.380952388048172,0.533333361148834,0.533333361148834,0.955172419548035 +"DeepConvDTI","Family","Seen Compound","Non-Kinase Enzyme",0.100110247731209,0.763077557086945,0.922241389751434,0.727272748947144,0.800000011920929,0.666666686534882,0.666666686534882,0.99137932062149 +"GraphDTA","Family","Seen Compound","Non-Kinase Enzyme",0.186963737010956,0.36026805639267,0.863821864128113,0.342857152223587,0.300000011920929,0.400000005960464,0.400000005960464,0.951724112033844 +"DrugVQA-Seq","Family","Seen Compound","Non-Kinase Enzyme",0.237432509660721,0.261181026697159,0.836781620979309,0.325581401586533,0.25,0.466666668653488,0.466666668653488,0.927586197853088 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+"GraphDTA","Family","Unseen Target","Others",0.921864211559296,0.515929460525513,0.559526801109314,0.393736004829407,0.534954428672791,0.311504423618317,0.311504423618317,0.739795923233032 +"GraphDTA","Family","Seen Target","Others",0.466986358165741,0.873230874538422,0.845772862434387,0.785829305648804,0.777070045471191,0.794788300991058,0.794788300991058,0.697624206542969 +"MGraphDTA","Family","Seen Target","Others",0.297817498445511,0.962972402572632,0.951525211334228,0.905968904495239,0.909687995910644,0.902280151844025,0.902280151844025,0.881209492683411 +"DrugBAN","Family","Seen Target","Others",0.261718064546585,0.96923303604126,0.959169030189514,0.909238278865814,0.904838681221008,0.913680791854858,0.913680791854858,0.872570216655731 +"DeepDTA","Family","Seen Compound","Others",0.123222909867764,0.901831984519958,0.983892321586609,0.846153855323792,0.804878056049347,0.891891896724701,0.891891896724701,0.964285731315613 +"DeepDTA","Family","Unseen Target","Others",0.831910729408264,0.603264451026917,0.616057157516479,0.569105684757233,0.581180810928345,0.557522118091583,0.557522118091583,0.613945603370667 +"HyperAttentionDTI","Family","Unseen Target","Others",0.851531863212585,0.628658652305603,0.643681883811951,0.583333313465118,0.611650466918945,0.557522118091583,0.557522118091583,0.659863948822021 +"DrugVQA-Seq","Family","Unseen Target","Others",0.834013938903809,0.648751974105835,0.64595752954483,0.608915030956268,0.580128192901611,0.640707969665527,0.640707969665527,0.554421782493591 +"DeepConvDTI","Family","Unseen Target","Others",1.10979783535004,0.565256416797638,0.592998623847961,0.552727282047272,0.568224310874939,0.538053095340729,0.538053095340729,0.607142865657806 +"GraphDTA","Family","Seen Compound","Others",0.11786487698555,0.924667716026306,0.984254360198975,0.787878811359406,0.896551728248596,0.702702701091766,0.702702701091766,0.986607134342194 +"MGraphDTA","Family","Unseen Target","Others",1.18072068691254,0.581046879291534,0.625725388526917,0.426008969545364,0.581039726734161,0.336283177137375,0.336283177137375,0.767006814479828 +"DrugBAN","Family","Unseen Target","Others",0.892741620540619,0.645484864711761,0.674391984939575,0.612466096878052,0.625461280345917,0.600000023841858,0.600000023841858,0.654761910438538 +"DrugVQA-Seq","Family","Seen Compound","Others",0.253203183412552,0.673067927360535,0.930863976478577,0.524590134620667,0.666666686534882,0.432432442903519,0.432432442903519,0.964285731315613 +"DeepConvDTI","Family","Seen Compound","Others",0.091710053384304,0.952003717422485,0.983409762382507,0.89473682641983,0.871794879436493,0.918918907642364,0.918918907642364,0.977678596973419 +"HyperAttentionDTI","Family","Seen Compound","Others",0.111777111887932,0.927453935146332,0.970801174640656,0.876712322235107,0.888888895511627,0.864864885807037,0.864864885807037,0.982142865657806 +"GraphDTA","Family","Unseen Compound","Others",0.12828654050827,0.410589307546616,0.808489322662354,0.307692319154739,1,0.181818187236786,0.181818187236786,1 +"DeepDTA","Family","Unseen Compound","Others",0.148963123559952,0.184836804866791,0.763870239257812,0.25,0.400000005960464,0.181818187236786,0.181818187236786,0.988970577716827 +"HyperAttentionDTI","Family","Unseen Compound","Others",0.187672138214111,0.121836617588997,0.707553505897522,0.111111111938953,0.142857149243355,0.0909090936183929,0.0909090936183929,0.977941155433655 +"MGraphDTA","Family","Seen Compound","Others",0.135561108589172,0.902586162090302,0.943713784217834,0.869565188884735,0.9375,0.810810804367065,0.810810804367065,0.991071403026581 +"DrugBAN","Family","Seen Compound","Others",0.0749542638659477,0.964932680130005,0.99083012342453,0.898550748825073,0.96875,0.837837815284729,0.837837815284729,0.995535731315613 +"DrugVQA-Seq","Family","Unseen Compound","Others",0.171114772558212,0.290019929409027,0.813669800758362,0.25,0.400000005960464,0.181818187236786,0.181818187236786,0.988970577716827 +"DeepConvDTI","Family","Unseen Compound","Others",0.222958728671074,0.134217992424965,0.75651741027832,0.0740740746259689,0.0625,0.0909090936183929,0.0909090936183929,0.944852948188782 +"MGraphDTA","Family","Unseen Compound","Others",0.238591223955154,0.187249943614006,0.817346334457397,0.222222223877907,0.159999996423721,0.363636374473572,0.363636374473572,0.922794103622436 +"DrugBAN","Family","Unseen Compound","Others",0.153458833694458,0.296149790287018,0.777573525905609,0.235294118523598,0.333333343267441,0.181818187236786,0.181818187236786,0.985294103622436 +"HyperAttentionDTI","Family","Unseen Compound","Non-Kinase Enzyme",0.269978195428848,0.233446329832077,0.811727166175842,0.259999990463257,0.171052634716034,0.541666686534882,0.541666686534882,0.89838707447052 +"MGraphDTA","Family","Unseen Compound","Non-Kinase Enzyme",0.539373874664307,0.13765624165535,0.736223101615906,0.204819276928902,0.119718313217163,0.708333313465118,0.708333313465118,0.798387110233307 +"GraphDTA","Family","Unseen Compound","Non-Kinase Enzyme",0.134868070483208,0.419961869716644,0.909677386283874,0.413793116807938,0.352941185235977,0.5,0.5,0.96451610326767 +"DrugVQA-Seq","Family","Unseen Compound","Non-Kinase Enzyme",0.240594357252121,0.221310526132584,0.829200267791748,0.324324309825897,0.239999994635582,0.5,0.5,0.938709676265717 +"DrugBAN","Family","Unseen Compound","Non-Kinase Enzyme",0.17921307682991,0.554344296455383,0.87459671497345,0.422535210847855,0.319148927927017,0.625,0.625,0.948387086391449 +"DeepConvDTI","Family","Unseen Compound","Non-Kinase Enzyme",0.323348641395569,0.310326635837555,0.750134408473969,0.208695650100708,0.13186813890934,0.5,0.5,0.872580647468567 +"DeepDTA","Family","Unseen Compound","Non-Kinase Enzyme",0.273837208747864,0.0816636905074119,0.740389704704285,0.0987654328346252,0.0701754391193389,0.16666667163372,0.16666667163372,0.914516150951386 +"DrugBAN","Family","Unseen Target","Non-Kinase Enzyme",1.010617852211,0.633518397808075,0.629401683807373,0.54337465763092,0.625,0.480607092380524,0.480607092380524,0.683333337306976 +"DrugVQA-Seq","Family","Unseen Target","Non-Kinase Enzyme",1.00039768218994,0.590350568294525,0.553542852401733,0.426193118095398,0.623376607894897,0.323777407407761,0.323777407407761,0.785185158252716 +"GraphDTA","Family","Unseen Target","Non-Kinase Enzyme",1.1379142999649,0.598300099372864,0.553024530410767,0.316883116960526,0.689265549182892,0.205733552575111,0.205733552575111,0.898148119449615 +"DeepConvDTI","Family","Unseen Target","Non-Kinase Enzyme",1.12595796585083,0.628442049026489,0.598308980464935,0.515361726284027,0.625,0.438448578119278,0.438448578119278,0.711111128330231 +"DeepDTA","Family","Unseen Target","Non-Kinase Enzyme",1.05650675296783,0.55611252784729,0.536807537078857,0.259501963853836,0.582352936267853,0.166947722434998,0.166947722434998,0.868518531322479 +"HyperAttentionDTI","Family","Unseen Target","Non-Kinase Enzyme",1.3837274312973,0.608405232429504,0.594127476215363,0.485158652067184,0.6171875,0.399662733078003,0.399662733078003,0.727777779102325 +"MGraphDTA","Family","Unseen Target","Non-Kinase Enzyme",1.39661955833435,0.624587833881378,0.623257398605347,0.500494539737701,0.60526317358017,0.426644176244736,0.426644176244736,0.694444417953491 +"MGraphDTA","Family","Seen Target","Non-Kinase Enzyme",0.39646378159523,0.929538488388062,0.932596564292908,0.880128741264343,0.861417293548584,0.899671077728271,0.899671077728271,0.835205972194672 +"HyperAttentionDTI","Family","Seen Target","Non-Kinase Enzyme",0.338406473398209,0.939549446105957,0.935136079788208,0.863710999488831,0.862295091152191,0.865131556987762,0.865131556987762,0.842696607112885 +"DeepDTA","Family","Seen Target","Non-Kinase Enzyme",0.564830422401428,0.807762682437897,0.792538344860077,0.704525291919708,0.764932572841644,0.652960538864136,0.652960538864136,0.771535575389862 +"GraphDTA","Family","Seen Target","Non-Kinase Enzyme",0.562171280384064,0.802761137485504,0.78216016292572,0.69957447052002,0.724867701530457,0.67598682641983,0.67598682641983,0.707865178585052 +"DeepConvDTI","Family","Seen Target","Non-Kinase Enzyme",0.335373044013977,0.939110815525055,0.931370735168457,0.861111104488373,0.855519473552704,0.866776287555695,0.866776287555695,0.833333313465118 +"DrugVQA-Seq","Family","Seen Target","Non-Kinase Enzyme",0.546777009963989,0.822371959686279,0.808931827545166,0.743912696838379,0.759862780570984,0.728618443012238,0.728618443012238,0.737827718257904 +"DrugBAN","Family","Seen Target","Non-Kinase Enzyme",0.413473188877106,0.90838360786438,0.904696106910706,0.822012066841125,0.861261248588562,0.786184191703796,0.786184191703796,0.855805218219757 +"DeepDTA","Family","Unseen Compound","Kinase",0.691775918006897,0.118526287376881,0.629755735397339,0.105919003486633,0.0611510798335075,0.395348846912384,0.395348846912384,0.713815808296204 +"DeepConvDTI","Family","Unseen Compound","Kinase",0.82488077878952,0.100334167480469,0.670810341835022,0.122994653880596,0.0694864019751548,0.534883737564087,0.534883737564087,0.662280678749084 +"DrugBAN","Family","Unseen Compound","Kinase",0.196568086743355,0.322838842868805,0.791539132595062,0.317073166370392,0.333333343267441,0.302325576543808,0.302325576543808,0.97149121761322 +"DrugVQA-Seq","Family","Unseen Compound","Kinase",0.473825067281723,0.122787192463875,0.713560819625854,0.188841208815575,0.115789473056793,0.511627912521362,0.511627912521362,0.815789461135864 +"MGraphDTA","Family","Unseen Compound","Kinase",1.01976358890533,0.0807747393846511,0.690942406654358,0.122093021869659,0.0697674453258514,0.488372087478638,0.488372087478638,0.69298243522644 +"GraphDTA","Family","Unseen Compound","Kinase",0.300519466400146,0.167544692754745,0.688367009162903,0.18045112490654,0.133333340287209,0.279069781303406,0.279069781303406,0.914473712444305 +"HyperAttentionDTI","Family","Unseen Compound","Kinase",0.65685510635376,0.109048426151276,0.732787609100342,0.193103447556496,0.113360323011875,0.651162803173065,0.651162803173065,0.759868443012238 +"MGraphDTA","Family","Seen Compound","Kinase",0.095068022608757,0.490159630775452,0.917303919792175,0.419354826211929,0.5,0.361111104488373,0.361111104488373,0.986444234848022 +"DeepDTA","Family","Seen Compound","Kinase",0.102803185582161,0.513306260108948,0.902270913124084,0.46428570151329,0.649999976158142,0.361111104488373,0.361111104488373,0.992700755596161 +"GraphDTA","Family","Seen Compound","Kinase",0.182884722948074,0.181604027748108,0.837200164794922,0.295454531908035,0.25,0.361111104488373,0.361111104488373,0.959332644939423 +"DrugVQA-Seq","Family","Seen Compound","Kinase",0.118629865348339,0.52309238910675,0.929787874221802,0.509090900421143,0.736842095851898,0.388888895511627,0.388888895511627,0.994786262512207 +"HyperAttentionDTI","Family","Seen Compound","Kinase",0.0720847770571708,0.644586205482483,0.967457413673401,0.584615409374237,0.655172407627106,0.527777791023254,0.527777791023254,0.989572465419769 +"DrugBAN","Family","Seen Compound","Kinase",0.10461949557066,0.512847781181335,0.914392828941345,0.583333313465118,0.583333313465118,0.583333313465118,0.583333313465118,0.984358727931976 +"DeepConvDTI","Family","Seen Compound","Kinase",0.0951338484883308,0.571380317211151,0.917723894119263,0.638888895511627,0.638888895511627,0.638888895511627,0.638888895511627,0.986444234848022 +"HyperAttentionDTI","Family","Seen Target","Kinase",0.307757079601288,0.944139957427978,0.945984125137329,0.897858321666718,0.880452334880829,0.915966391563416,0.915966391563416,0.859582543373108 +"GraphDTA","Family","Seen Target","Kinase",0.490866273641586,0.856151461601257,0.847588241100311,0.753363251686096,0.807692289352417,0.705882370471954,0.705882370471954,0.810246706008911 +"MGraphDTA","Family","Seen Target","Kinase",0.275006264448166,0.95790696144104,0.956492245197296,0.897478997707367,0.897478997707367,0.897478997707367,0.897478997707367,0.884250462055206 +"DeepDTA","Family","Seen Target","Kinase",0.508279919624329,0.853989958763123,0.843896806240082,0.771186411380768,0.777777791023254,0.764705896377563,0.764705896377563,0.753320693969727 +"DrugVQA-Seq","Family","Seen Target","Kinase",0.460285097360611,0.879626631736755,0.871666193008423,0.79798823595047,0.795986592769623,0.800000011920929,0.800000011920929,0.768500924110413 +"DrugBAN","Family","Seen Target","Kinase",0.399573981761932,0.93004435300827,0.926804661750794,0.822984218597412,0.917355358600616,0.746218502521515,0.746218502521515,0.924098670482636 +"DeepConvDTI","Family","Seen Target","Kinase",0.271759182214737,0.961746692657471,0.956254661083221,0.898193776607513,0.878009617328644,0.919327735900879,0.919327735900879,0.855787456035614 +"HyperAttentionDTI","Family","Seen Target","Ion Channel",0.37010532617569,0.933407306671143,0.923856854438782,0.862003803253174,0.863636374473572,0.860377371311188,0.860377371311188,0.837837815284729 +"DrugBAN","Family","Seen Target","Ion Channel",0.397031277418137,0.909226894378662,0.915102779865265,0.870673954486847,0.841549277305603,0.901886820793152,0.901886820793152,0.797297298908234 +"DrugVQA-Seq","Family","Seen Target","Ion Channel",0.554227590560913,0.824190080165863,0.79817271232605,0.736220479011536,0.769547343254089,0.705660402774811,0.705660402774811,0.747747719287872 +"MGraphDTA","Family","Seen Target","Ion Channel",0.400283366441727,0.924461841583252,0.906085312366486,0.836501896381378,0.842911899089813,0.830188691616058,0.830188691616058,0.815315306186676 +"DeepDTA","Family","Seen Target","Ion Channel",0.492530852556229,0.868076324462891,0.835016131401062,0.739837408065796,0.801762104034424,0.686792433261871,0.686792433261871,0.797297298908234 +"DeepConvDTI","Family","Seen Target","Ion Channel",0.355171173810959,0.928895831108093,0.929219782352448,0.883636355400085,0.852631568908691,0.916981160640717,0.916981160640717,0.810810804367065 +"HyperAttentionDTI","Family","Unseen Target","Ion Channel",1.0185022354126,0.782648980617523,0.689487516880035,0.701168596744537,0.623145401477814,0.801526725292206,0.801526725292206,0.36180904507637 +"GraphDTA","Family","Seen Target","Ion Channel",0.500043272972107,0.85886549949646,0.835670590400696,0.778420031070709,0.795275568962097,0.762264132499695,0.762264132499695,0.765765786170959 +"DrugVQA-Seq","Family","Unseen Target","Ion Channel",0.728180885314941,0.737687706947327,0.68451988697052,0.690966725349426,0.590785920619965,0.832061052322388,0.832061052322388,0.241206035017967 +"DrugBAN","Family","Unseen Target","Ion Channel",0.941289901733398,0.78829562664032,0.717729866504669,0.746456682682037,0.635388731956482,0.904580175876617,0.904580175876617,0.316582918167114 +"MGraphDTA","Family","Unseen Target","Ion Channel",0.790070593357086,0.831912636756897,0.752205669879913,0.731861174106598,0.623655915260315,0.885496199131012,0.885496199131012,0.296482414007187 +"DeepDTA","Family","Unseen Target","Ion Channel",0.803040504455566,0.781932175159454,0.697715640068054,0.670231699943542,0.628762543201447,0.7175572514534,0.7175572514534,0.44221106171608 +"DeepConvDTI","Family","Unseen Target","Ion Channel",0.848804652690887,0.818996548652649,0.735030114650726,0.739130437374115,0.623036623001099,0.90839695930481,0.90839695930481,0.27638190984726 +"GraphDTA","Family","Unseen Target","Ion Channel",0.836686611175537,0.669894397258759,0.619193315505981,0.688468158245087,0.626959264278412,0.763358771800995,0.763358771800995,0.402010053396225 +"HyperAttentionDTI","Family","Seen Compound","Ion Channel",0.523421287536621,0.90575385093689,0.827859878540039,0.832000017166138,0.838709652423859,0.825396835803986,0.825396835803986,0.655172407627106 +"DrugBAN","Family","Seen Compound","Ion Channel",0.659837126731873,0.851693630218506,0.722222208976746,0.793893158435822,0.764705896377563,0.825396835803986,0.825396835803986,0.448275864124298 +"DrugVQA-Seq","Family","Seen Compound","Ion Channel",0.737382709980011,0.774834871292114,0.621784329414368,0.811594188213348,0.746666669845581,0.888888895511627,0.888888895511627,0.344827592372894 +"MGraphDTA","Family","Seen Compound","Ion Channel",0.445121109485626,0.931757152080536,0.870279133319855,0.887218058109283,0.842857122421265,0.936507940292358,0.936507940292358,0.620689630508423 +"DeepConvDTI","Family","Seen Compound","Ion Channel",0.478825122117996,0.911210656166077,0.84455394744873,0.887218058109283,0.842857122421265,0.936507940292358,0.936507940292358,0.620689630508423 +"DeepDTA","Family","Seen Compound","Ion Channel",0.641172826290131,0.846527814865112,0.74356871843338,0.818897664546967,0.8125,0.825396835803986,0.825396835803986,0.586206912994385 +"GraphDTA","Family","Seen Compound","Ion Channel",0.804713845252991,0.816872239112854,0.652162075042725,0.796992480754852,0.757142841815948,0.841269850730896,0.841269850730896,0.413793116807938 +"HyperAttentionDTI","Family","Unseen Compound","Ion Channel",0.689236402511597,0.755851447582245,0.783428192138672,0.781609177589417,0.693877577781677,0.89473682641983,0.89473682641983,0.594594597816467 +"DrugBAN","Family","Unseen Compound","Ion Channel",0.677867770195007,0.75852358341217,0.827524900436401,0.800000011920929,0.692307710647583,0.947368443012238,0.947368443012238,0.567567586898804 +"DrugVQA-Seq","Family","Unseen Compound","Ion Channel",0.907140493392944,0.642594218254089,0.630156457424164,0.659793794155121,0.54237288236618,0.842105269432068,0.842105269432068,0.270270258188248 +"MGraphDTA","Family","Unseen Compound","Ion Channel",0.777059316635132,0.649325132369995,0.721906125545502,0.666666686534882,0.675675690174103,0.657894730567932,0.657894730567932,0.675675690174103 +"DeepConvDTI","Family","Unseen Compound","Ion Channel",0.612522602081299,0.778162717819214,0.829302966594696,0.790123462677002,0.744186043739319,0.842105269432068,0.842105269432068,0.702702701091766 +"DeepDTA","Family","Unseen Compound","Ion Channel",0.828787088394165,0.664970517158508,0.692745387554169,0.712643682956696,0.632653057575226,0.815789461135864,0.815789461135864,0.513513505458832 +"GraphDTA","Family","Unseen Compound","Ion Channel",0.749589145183563,0.726675808429718,0.737553358078003,0.709677398204803,0.600000023841858,0.868421077728271,0.868421077728271,0.405405402183533 +"TransformerCPI2","General","Random Split","All Families",0.637158513069153,0.901948690414429,0.908159852027893,0.830502986907959,0.834645867347717,0.826401054859161,0.826401054859161,0.833480000495911 +"TransformerCPI","General","Random Split","All Families",0.457301467657089,0.871462345123291,0.875126600265503,0.794170379638672,0.778386473655701,0.810607671737671,0.810607671737671,0.765266835689545