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

Result

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

DGLGraphTransformer + GCNModel

Submitted on: December 08, 2023ID: lvlWbhXxrwJTozl2UakGZ

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baseline

null model

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Detailed Results

Test set	Target label	Metric	Score
test	RET	r2	-0.1926607696030216
test	RET	pearsonr	0.49024779491423554
test	RET	spearmanr	0.4398420934555638
test	RET	explained_var	0.16803810022671783
test	RET	mean_squared_error	936.4445633463826
test	RET	mean_absolute_error	19.879699049621827
test	RET_(V804L_mutant)	r2	-0.06505713171384042
test	RET_(V804L_mutant)	pearsonr	0.5542578287396902
test	RET_(V804L_mutant)	spearmanr	0.4905852119172247
test	RET_(V804L_mutant)	explained_var	0.22194318286480685
test	RET_(V804L_mutant)	mean_squared_error	746.6474866028364
test	RET_(V804L_mutant)	mean_absolute_error	17.62642172533624
test	RET_(Y791F_mutant)	r2	-0.40995924082752433
test	RET_(Y791F_mutant)	pearsonr	0.4626639083526941
test	RET_(Y791F_mutant)	spearmanr	0.41396528222734746
test	RET_(Y791F_mutant)	explained_var	0.15538568691413412
test	RET_(Y791F_mutant)	mean_squared_error	982.7598256010723
test	RET_(Y791F_mutant)	mean_absolute_error	21.795644506475508