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

Result

polaris/adme-fang-HPPB-1_DGLGraphTransformer_MPNNModel

DGLGraphTransformer + MPNNModel

Submitted on: December 08, 2023ID: xaz8iFAkMCyXCrWA50cwA

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baseline

null model

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Detailed Results

Test set	Target label	Metric	Score
test	LOG_HPPB	r2	0.0024617433148862444
test	LOG_HPPB	pearsonr	0.24153636413058077
test	LOG_HPPB	spearmanr	0.25639850330769554
test	LOG_HPPB	explained_var	0.004117216594464401
test	LOG_HPPB	mean_squared_error	0.6041478104823035
test	LOG_HPPB	mean_absolute_error	0.6699429959777634