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

Result

polaris/pkis1-egfr-wt-mut-r-1_DGLGraphTransformer_AttentiveFPModel

DGLGraphTransformer + AttentiveFPModel

Submitted on: December 08, 2023ID: h6fP65JeVkFbAarw0PzCs

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baseline

null model

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Detailed Results

Test set	Target label	Metric	Score
test	EGFR	r2	-0.2676839791338017
test	EGFR	pearsonr	0.430709017881323
test	EGFR	spearmanr	0.24054972640219918
test	EGFR	explained_var	0.025000960249952797
test	EGFR	mean_squared_error	1299.4453725947747
test	EGFR	mean_absolute_error	20.05296484702342
test	EGFR_(L858R_mutant)	r2	-0.3107311707391951
test	EGFR_(L858R_mutant)	pearsonr	0.3741657206810674
test	EGFR_(L858R_mutant)	spearmanr	0.3051166234727878
test	EGFR_(L858R_mutant)	explained_var	0.019836697659159963
test	EGFR_(L858R_mutant)	mean_squared_error	1440.270945109774
test	EGFR_(L858R_mutant)	mean_absolute_error	21.986334331615552