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

Result

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

DGLGraphTransformer + AttentiveFPModel

Submitted on: December 08, 2023ID: Hduy3DTVLHxMvL9B2owPV

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baseline

null model

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Related benchmark

Detailed Results

Test set	Target label	Metric	Score
test	CLASS_KIT	f1	0.5423728813559322
test	CLASS_KIT	mcc	-0.0381540798431175
test	CLASS_KIT	pr_auc	0.37655664146536355
test	CLASS_KIT	roc_auc	0.49410774410774416
test	CLASS_KIT	accuracy	0.3793103448275862
test	CLASS_KIT	cohen_kappa	-0.009020618556700999
test	CLASS_KIT_(T6701_mutant)	f1	0
test	CLASS_KIT_(T6701_mutant)	mcc	0
test	CLASS_KIT_(T6701_mutant)	pr_auc	0.16091954022988506
test	CLASS_KIT_(T6701_mutant)	roc_auc	0.5
test	CLASS_KIT_(T6701_mutant)	accuracy	0.8390804597701149
test	CLASS_KIT_(T6701_mutant)	cohen_kappa	0
test	CLASS_KIT_(V560G_mutant)	f1	0.2424242424242424
test	CLASS_KIT_(V560G_mutant)	mcc	0
test	CLASS_KIT_(V560G_mutant)	pr_auc	0.13793103448275862
test	CLASS_KIT_(V560G_mutant)	roc_auc	0.5
test	CLASS_KIT_(V560G_mutant)	accuracy	0.13793103448275862
test	CLASS_KIT_(V560G_mutant)	cohen_kappa	0