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

Result

polaris/adme-fang-HCLint-1_desc2D_RandomForestRegressor

desc2D + RandomForestRegressor

Submitted on: December 08, 2023ID: z9J9CU3XDnrmZ3e0mAQSX

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baseline

null model

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Related benchmark

Detailed Results

Test set	Target label	Metric	Score
test	LOG_HLM_CLint	r2	0.40680240366384646
test	LOG_HLM_CLint	pearsonr	0.6387630442359333
test	LOG_HLM_CLint	spearmanr	0.6430959572556273
test	LOG_HLM_CLint	explained_var	0.4075735862037231
test	LOG_HLM_CLint	mean_squared_error	0.23040383868907088
test	LOG_HLM_CLint	mean_absolute_error	0.3808877431463241