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

Result

polaris/adme-fang-HPPB-1_cats2D_GradientBoostingRegressor

cats2D + GradientBoostingRegressor

Submitted on: December 08, 2023ID: qaPHkaNTqT3qDNslsZqRx

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baseline

null model

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Related benchmark

Detailed Results

Test set	Target label	Metric	Score
test	LOG_HPPB	r2	0.1234186848393728
test	LOG_HPPB	pearsonr	0.44019726673410514
test	LOG_HPPB	spearmanr	0.4425089782950455
test	LOG_HPPB	explained_var	0.14775358123798055
test	LOG_HPPB	mean_squared_error	0.5308916011139625
test	LOG_HPPB	mean_absolute_error	0.5891440856003186