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

Result

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

DGLGraphTransformer + AttentiveFPModel

Submitted on: December 08, 2023ID: 0CjfbKfgMt0UqE4Gnfdez

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baseline

null model

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Related benchmark

Detailed Results

Test set	Target label	Metric	Score
test	KIT	r2	-0.3029902029202576
test	KIT	pearsonr	0.024079871648100194
test	KIT	spearmanr	0.003171247357293869
test	KIT	explained_var	-0.0026330295292098516
test	KIT	mean_squared_error	2211.7319362151443
test	KIT	mean_absolute_error	37.76406792827036
test	KIT_(T6701_mutant)	r2	-0.2746050654310126
test	KIT_(T6701_mutant)	pearsonr	0.02932821892607498
test	KIT_(T6701_mutant)	spearmanr	0.004447036524021287
test	KIT_(T6701_mutant)	explained_var	0.00015609135435701305
test	KIT_(T6701_mutant)	mean_squared_error	1370.4374799072875
test	KIT_(T6701_mutant)	mean_absolute_error	23.897779201858345
test	KIT_(V560G_mutant)	r2	-0.23713789095109394
test	KIT_(V560G_mutant)	pearsonr	0.1498345336467795
test	KIT_(V560G_mutant)	spearmanr	0.03491121833900394
test	KIT_(V560G_mutant)	explained_var	0.012138874008912115
test	KIT_(V560G_mutant)	mean_squared_error	1225.2566318071051
test	KIT_(V560G_mutant)	mean_absolute_error	23.376153435542665