Guidelines for Method ComparisonRead the first pre-print from the Small Molecule Steering Committee

Result

polaris/pkis1-ret-wt-mut-c-1_desc2D_FCModel

desc2D + FCModel

Submitted on: December 08, 2023ID: cRrtJqVQ6b2jxY49pL8oj

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baseline

null model

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Related benchmark

Detailed Results

Test set	Target label	Metric	Score
test	CLASS_RET	f1	0.1818181818181818
test	CLASS_RET	mcc	-0.11395917761253371
test	CLASS_RET	pr_auc	0.1261437908496732
test	CLASS_RET	roc_auc	0.4212328767123288
test	CLASS_RET	accuracy	0.36470588235294116
test	CLASS_RET	cohen_kappa	-0.06397774687065372
test	CLASS_RET_(V804L_mutant)	f1	0.3137254901960785
test	CLASS_RET_(V804L_mutant)	mcc	0.23212123141881708
test	CLASS_RET_(V804L_mutant)	pr_auc	0.17962697274031567
test	CLASS_RET_(V804L_mutant)	roc_auc	0.6800000000000002
test	CLASS_RET_(V804L_mutant)	accuracy	0.5882352941176471
test	CLASS_RET_(V804L_mutant)	cohen_kappa	0.15362731152204845
test	CLASS_RET_(Y791F_mutant)	f1	0.21505376344086022
test	CLASS_RET_(Y791F_mutant)	mcc	0.05668202012651358
test	CLASS_RET_(Y791F_mutant)	pr_auc	0.12048192771084337
test	CLASS_RET_(Y791F_mutant)	roc_auc	0.5133333333333333
test	CLASS_RET_(Y791F_mutant)	accuracy	0.1411764705882353
test	CLASS_RET_(Y791F_mutant)	cohen_kappa	0.006405124099279402