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

Result

polaris/pkis1-ret-wt-mut-r-1_DGLGraphTransformer_MPNNModel

DGLGraphTransformer + MPNNModel

Submitted on: December 08, 2023ID: cfLT8o3lYJRT1YPQnK1ED

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baseline

null model

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Detailed Results

Test set	Target label	Metric	Score
test	RET	r2	-0.04603405084884282
test	RET	pearsonr	-0.0666391412808074
test	RET	spearmanr	-0.022025592298592293
test	RET	explained_var	-0.00002803026336750669
test	RET	mean_squared_error	821.3172806200689
test	RET	mean_absolute_error	21.487809025483973
test	RET_(V804L_mutant)	r2	-0.0123686338302893
test	RET_(V804L_mutant)	pearsonr	-0.2364370054789048
test	RET_(V804L_mutant)	spearmanr	-0.23893256203962185
test	RET_(V804L_mutant)	explained_var	-0.00011553222228966042
test	RET_(V804L_mutant)	mean_squared_error	709.7107502098048
test	RET_(V804L_mutant)	mean_absolute_error	20.517914373061238
test	RET_(Y791F_mutant)	r2	-0.15531196899242272
test	RET_(Y791F_mutant)	pearsonr	-0.020527021874052948
test	RET_(Y791F_mutant)	spearmanr	-0.019562816971206126
test	RET_(Y791F_mutant)	explained_var	-0.0000084122552659327
test	RET_(Y791F_mutant)	mean_squared_error	805.2673838255398
test	RET_(Y791F_mutant)	mean_absolute_error	20.0964261268167