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

Result

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

DGLGraphTransformer + GATModel

Submitted on: December 08, 2023ID: KMLTMH8CRcKQlvz2gwMdb

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baseline

null model

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Detailed Results

Test set	Target label	Metric	Score
test	KIT	r2	-1.5015349177795612
test	KIT	pearsonr	0.3008191485670736
test	KIT	spearmanr	0.28215117259520756
test	KIT	explained_var	0.08791369760775991
test	KIT	mean_squared_error	4246.175185976422
test	KIT	mean_absolute_error	52.318516322737445
test	KIT_(T6701_mutant)	r2	-0.6763284831277245
test	KIT_(T6701_mutant)	pearsonr	0.2858365471804664
test	KIT_(T6701_mutant)	spearmanr	0.21696716195075563
test	KIT_(T6701_mutant)	explained_var	0.05093964934576345
test	KIT_(T6701_mutant)	mean_squared_error	1802.364861258042
test	KIT_(T6701_mutant)	mean_absolute_error	28.09602826796043
test	KIT_(V560G_mutant)	r2	-0.8358349813055737
test	KIT_(V560G_mutant)	pearsonr	0.2643243813323488
test	KIT_(V560G_mutant)	spearmanr	0.24479883355356083
test	KIT_(V560G_mutant)	explained_var	0.06692355179305054
test	KIT_(V560G_mutant)	mean_squared_error	1818.2039384622228
test	KIT_(V560G_mutant)	mean_absolute_error	30.006999649871346