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

Result

polaris/pkis2-kit-wt-r-1_DGLGraphTransformer_MPNNModel

DGLGraphTransformer + MPNNModel

Submitted on: December 08, 2023ID: sXvLvewKA1BnGr2J5Pjnf

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baseline

null model

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Detailed Results

Test set	Target label	Metric	Score
test	KIT	r2	-0.01308161579210787
test	KIT	pearsonr	0.13647725021156096
test	KIT	spearmanr	0.06369018867360397
test	KIT	explained_var	0.000017663668023137902
test	KIT	mean_squared_error	1222.4694220952952
test	KIT	mean_absolute_error	31.39876258455474