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

Result

polaris/pkis1-kit-wt-mut-r-1_DGLGraphTransformer_GCNModel

DGLGraphTransformer + GCNModel

Submitted on: December 08, 2023ID: 2gGpSudQEQlM3z6TCVuTf

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baseline

null model

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Detailed Results

Test set	Target label	Metric	Score
test	KIT	r2	-1.081917757467938
test	KIT	pearsonr	0.18453001341441586
test	KIT	spearmanr	0.0584496357155759
test	KIT	explained_var	0.0034108331111232237
test	KIT	mean_squared_error	3533.905306766958
test	KIT	mean_absolute_error	43.13361512677423
test	KIT_(T6701_mutant)	r2	-0.5670963556423196
test	KIT_(T6701_mutant)	pearsonr	0.3327988079983948
test	KIT_(T6701_mutant)	spearmanr	0.26470011983634756
test	KIT_(T6701_mutant)	explained_var	0.01953439646530697
test	KIT_(T6701_mutant)	mean_squared_error	1684.9200106325743
test	KIT_(T6701_mutant)	mean_absolute_error	25.48400727284023
test	KIT_(V560G_mutant)	r2	-0.6006240478250815
test	KIT_(V560G_mutant)	pearsonr	0.2819866335573615
test	KIT_(V560G_mutant)	spearmanr	0.13331206998678635
test	KIT_(V560G_mutant)	explained_var	0.013096468733852173
test	KIT_(V560G_mutant)	mean_squared_error	1585.2519302596822
test	KIT_(V560G_mutant)	mean_absolute_error	25.180795030628126