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

Result

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

DGLGraphTransformer + GATModel

Submitted on: December 08, 2023ID: CqYEgdS77ZXHwDSNfiuMm

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baseline

null model

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Detailed Results

Test set	Target label	Metric	Score
test	EGFR	r2	0.006373436700005897
test	EGFR	pearsonr	0.5425156298629367
test	EGFR	spearmanr	0.3951010374120712
test	EGFR	explained_var	0.1292422471847734
test	EGFR	mean_squared_error	1018.52154087304
test	EGFR	mean_absolute_error	19.710626865206535
test	EGFR_(L858R_mutant)	r2	0.05773902697934419
test	EGFR_(L858R_mutant)	pearsonr	0.48665496046540013
test	EGFR_(L858R_mutant)	spearmanr	0.42551647537948906
test	EGFR_(L858R_mutant)	explained_var	0.13801217440377211
test	EGFR_(L858R_mutant)	mean_squared_error	1035.384777938228
test	EGFR_(L858R_mutant)	mean_absolute_error	21.258052058091035