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

Result

polaris/adme-fang-HPPB-1_DGLGraphTransformer_PNAModel

DGLGraphTransformer + PNAModel

Submitted on: December 08, 2023ID: cNtU437uBiGypQXXzEhrV

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baseline

null model

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Detailed Results

Test set	Target label	Metric	Score
test	LOG_HPPB	r2	0.09094323161689544
test	LOG_HPPB	pearsonr	0.5509195735013022
test	LOG_HPPB	spearmanr	0.527465812525724
test	LOG_HPPB	explained_var	0.21499851071863285
test	LOG_HPPB	mean_squared_error	0.5505599936064757
test	LOG_HPPB	mean_absolute_error	0.6699283523148108