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

Result

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

avalon + FCModel

Submitted on: December 08, 2023ID: SNy7S02Pil4o8HBSg1c5r

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baseline

null model

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Detailed Results

Test set	Target label	Metric	Score
test	RET	r2	-0.31279358017000836
test	RET	pearsonr	-0.013101954209072597
test	RET	spearmanr	0.044528696434424864
test	RET	explained_var	-0.015159184680071824
test	RET	mean_squared_error	1030.7695551648194
test	RET	mean_absolute_error	20.32117106291827
test	RET_(V804L_mutant)	r2	-0.3594733983445997
test	RET_(V804L_mutant)	pearsonr	-0.11557004135159273
test	RET_(V804L_mutant)	spearmanr	-0.08359512793427795
test	RET_(V804L_mutant)	explained_var	-0.026855186976482592
test	RET_(V804L_mutant)	mean_squared_error	953.0450205464986
test	RET_(V804L_mutant)	mean_absolute_error	19.36625553445255
test	RET_(Y791F_mutant)	r2	-0.2588481063378807
test	RET_(Y791F_mutant)	pearsonr	0.0241743807178514
test	RET_(Y791F_mutant)	spearmanr	0.09475371070657325
test	RET_(Y791F_mutant)	explained_var	-0.021769503092834208
test	RET_(Y791F_mutant)	mean_squared_error	877.4334105692008
test	RET_(Y791F_mutant)	mean_absolute_error	20.239239774816177