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

Result

polaris/adme-fang-PERM-1_DGLGraphTransformer_GCNModel

DGLGraphTransformer + GCNModel

Submitted on: December 08, 2023ID: 8jpGxEtmiXTDlTPd4rq3c

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baseline

null model

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Detailed Results

Test set	Target label	Metric	Score
test	LOG_MDR1-MDCK_ER	r2	0.38199163046993256
test	LOG_MDR1-MDCK_ER	pearsonr	0.6203900107892156
test	LOG_MDR1-MDCK_ER	spearmanr	0.632803299565637
test	LOG_MDR1-MDCK_ER	explained_var	0.38478846636054964
test	LOG_MDR1-MDCK_ER	mean_squared_error	0.30615675531091757
test	LOG_MDR1-MDCK_ER	mean_absolute_error	0.43328655345348555