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

Result

polaris/adme-fang-PERM-1_ecfp6_FCModel

ecfp6 + FCModel

Submitted on: December 08, 2023ID: 0rmhL60wjmwy6qvn7QXux

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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	0.31730738456436625
test	LOG_MDR1-MDCK_ER	pearsonr	0.6268476772103834
test	LOG_MDR1-MDCK_ER	spearmanr	0.6337447424567952
test	LOG_MDR1-MDCK_ER	explained_var	0.37658072871110215
test	LOG_MDR1-MDCK_ER	mean_squared_error	0.3382008502173348
test	LOG_MDR1-MDCK_ER	mean_absolute_error	0.4750793170737852