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

Result

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

DGLGraphTransformer + PNAModel

Submitted on: December 08, 2023ID: DvBFlAhywh8UKLQkwuxZT

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baseline

null model

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Detailed Results

Test set	Target label	Metric	Score
test	CLASS_RET	f1	0.25
test	CLASS_RET	mcc	0.044237395520380876
test	CLASS_RET	pr_auc	0.14285714285714285
test	CLASS_RET	roc_auc	0.5068493150684932
test	CLASS_RET	accuracy	0.15294117647058825
test	CLASS_RET	cohen_kappa	0.00390625
test	CLASS_RET_(V804L_mutant)	f1	0.21052631578947367
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	0.11764705882352941
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