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

Result

polaris/adme-fang-HCLint-1_estate_GradientBoostingRegressor

estate + GradientBoostingRegressor

Submitted on: December 08, 2023ID: tnNyNYjqXYighjZT9YY1m

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baseline

null model

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Detailed Results

Test set	Target label	Metric	Score
test	LOG_HLM_CLint	r2	0.2910198375825386
test	LOG_HLM_CLint	pearsonr	0.5433641413476408
test	LOG_HLM_CLint	spearmanr	0.5500712180085319
test	LOG_HLM_CLint	explained_var	0.2949222010370759
test	LOG_HLM_CLint	mean_squared_error	0.2753749374311621
test	LOG_HLM_CLint	mean_absolute_error	0.4251525075885367