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

Result

polaris/adme-fang-RPPB-1_fcfp6_RandomForestRegressor

fcfp6 + RandomForestRegressor

Submitted on: December 08, 2023ID: omURWYbv8Xe13pYUPtJwE

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baseline

null model

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Related benchmark

Detailed Results

Test set	Target label	Metric	Score
test	LOG_RPPB	r2	0.21138743286810568
test	LOG_RPPB	pearsonr	0.4818021743587745
test	LOG_RPPB	spearmanr	0.551304347826087
test	LOG_RPPB	explained_var	0.21142590718384935
test	LOG_RPPB	mean_squared_error	0.7006680591797668
test	LOG_RPPB	mean_absolute_error	0.5956352696930147