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

Result

polaris/pkis2-kit-wt-r-1_DGLGraphTransformer_AttentiveFPModel

DGLGraphTransformer + AttentiveFPModel

Submitted on: December 08, 2023ID: ef2zLBVnfw3R63UNLybKv

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baseline

null model

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Related benchmark

Detailed Results

Test set	Target label	Metric	Score
test	KIT	r2	0.11638487953919963
test	KIT	pearsonr	0.36884933141235476
test	KIT	spearmanr	0.3328646887538486
test	KIT	explained_var	0.11720844219254989
test	KIT	mean_squared_error	1066.244267812321
test	KIT	mean_absolute_error	28.690003556218638