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

Result

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

DGLGraphTransformer + AttentiveFPModel

Submitted on: December 08, 2023ID: YbQosukCxQ8lAKzbJcVNF

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baseline

null model

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Detailed Results

Test set	Target label	Metric	Score
test	CLASS_RET	f1	0.24742268041237114
test	CLASS_RET	mcc	0
test	CLASS_RET	pr_auc	0.1411764705882353
test	CLASS_RET	roc_auc	0.5
test	CLASS_RET	accuracy	0.1411764705882353
test	CLASS_RET	cohen_kappa	0
test	CLASS_RET_(V804L_mutant)	f1	0
test	CLASS_RET_(V804L_mutant)	mcc	0
test	CLASS_RET_(V804L_mutant)	pr_auc	0.11764705882352941
test	CLASS_RET_(V804L_mutant)	roc_auc	0.5
test	CLASS_RET_(V804L_mutant)	accuracy	0.8823529411764706
test	CLASS_RET_(V804L_mutant)	cohen_kappa	0
test	CLASS_RET_(Y791F_mutant)	f1	0.21052631578947367
test	CLASS_RET_(Y791F_mutant)	mcc	0
test	CLASS_RET_(Y791F_mutant)	pr_auc	0.11764705882352941
test	CLASS_RET_(Y791F_mutant)	roc_auc	0.5
test	CLASS_RET_(Y791F_mutant)	accuracy	0.11764705882352941
test	CLASS_RET_(Y791F_mutant)	cohen_kappa	0