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

Result

polaris/pkis1-kit-wt-mut-r-1_pharm2D_FCModel

pharm2D + FCModel

Submitted on: December 08, 2023ID: abrgwh2ZvdzMuZw8vmySg

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baseline

null model

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Detailed Results

Test set	Target label	Metric	Score
test	KIT	r2	0.12665408386142363
test	KIT	pearsonr	0.4876983211842863
test	KIT	spearmanr	0.437118681950356
test	KIT	explained_var	0.23411965440157634
test	KIT	mean_squared_error	1482.4417326835235
test	KIT	mean_absolute_error	30.267911422882953
test	KIT_(T6701_mutant)	r2	0.10899126204169629
test	KIT_(T6701_mutant)	pearsonr	0.44603221977195945
test	KIT_(T6701_mutant)	spearmanr	0.40016585489615847
test	KIT_(T6701_mutant)	explained_var	0.18681024974232574
test	KIT_(T6701_mutant)	mean_squared_error	958.0000915891859
test	KIT_(T6701_mutant)	mean_absolute_error	21.50831786912063
test	KIT_(V560G_mutant)	r2	0.20513510004463886
test	KIT_(V560G_mutant)	pearsonr	0.5643059425685278
test	KIT_(V560G_mutant)	spearmanr	0.43010370534164216
test	KIT_(V560G_mutant)	explained_var	0.285502872660339
test	KIT_(V560G_mutant)	mean_squared_error	787.2311544125987
test	KIT_(V560G_mutant)	mean_absolute_error	19.646638276988064