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

Result

polaris/adme-fang-SOLU-1_DGLGraphTransformer_PNAModel

DGLGraphTransformer + PNAModel

Submitted on: December 08, 2023ID: fHudWjnCZED2Cujs5K9PW

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baseline

null model

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Detailed Results

Test set	Target label	Metric	Score
test	LOG_SOLUBILITY	r2	0.19248034528884506
test	LOG_SOLUBILITY	pearsonr	0.438807202468964
test	LOG_SOLUBILITY	spearmanr	0.3485043174165044
test	LOG_SOLUBILITY	explained_var	0.19253074983939678
test	LOG_SOLUBILITY	mean_squared_error	0.43781990818276534
test	LOG_SOLUBILITY	mean_absolute_error	0.4892533211102269