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

Result

polaris/adme-fang-RPPB-1_DGLGraphTransformer_MPNNModel

DGLGraphTransformer + MPNNModel

Submitted on: December 08, 2023ID: hg827hmfqFpNwsXksxftb

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baseline

null model

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Detailed Results

Test set	Target label	Metric	Score
test	LOG_RPPB	r2	-0.03414603740305733
test	LOG_RPPB	pearsonr	0.044922453374756866
test	LOG_RPPB	spearmanr	-0.09217391304347824
test	LOG_RPPB	explained_var	0.001321957337608759
test	LOG_RPPB	mean_squared_error	0.9188201242733425
test	LOG_RPPB	mean_absolute_error	0.821945040980526