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

Result

polaris/pkis2-ret-wt-r-1_DGLGraphTransformer_GCNModel

DGLGraphTransformer + GCNModel

Submitted on: December 08, 2023ID: rYzZJtCUkBZQa018ZRYbt

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baseline

null model

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Detailed Results

Test set	Target label	Metric	Score
test	RET	r2	-0.2959581747697273
test	RET	pearsonr	0.26876292724904327
test	RET	spearmanr	0.25686884246304176
test	RET	explained_var	0.03711995167627791
test	RET	mean_squared_error	1538.8273260852732
test	RET	mean_absolute_error	26.633889734520103