ASAP Discovery x OpenADMET CompetitionTake part in the first prospective benchmark on Polaris.

Result

polaris/adme-fang-r-1_estate_FCModel

estate + FCModel

Submitted on: December 08, 2023,ID: sqqWYM43Su2drr6Ul0dpX

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baseline

null model

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Related benchmark

Detailed Results

Test set	Target label	Metric	Score
test	LOG_HLM_CLint	r2	0.1775225761298168
test	LOG_HLM_CLint	pearsonr	0.5407686025128947
test	LOG_HLM_CLint	spearmanr	0.5320420898433242
test	LOG_HLM_CLint	explained_var	0.2738879385341918
test	LOG_HLM_CLint	mean_squared_error	0.33234843598451863
test	LOG_HLM_CLint	mean_absolute_error	0.4488990205963648
test	LOG_HPPB	r2	0.08697551841073026
test	LOG_HPPB	pearsonr	0.36095349092751544
test	LOG_HPPB	spearmanr	0.3837306116721599
test	LOG_HPPB	explained_var	0.11732176657934257
test	LOG_HPPB	mean_squared_error	0.6509367494481068
test	LOG_HPPB	mean_absolute_error	0.6368895673203171
test	LOG_MDR1-MDCK_ER	r2	0.3005160471310633
test	LOG_MDR1-MDCK_ER	pearsonr	0.6071421223188564
test	LOG_MDR1-MDCK_ER	spearmanr	0.616607102687959
test	LOG_MDR1-MDCK_ER	explained_var	0.30052683745755226
test	LOG_MDR1-MDCK_ER	mean_squared_error	0.3361872549770749
test	LOG_MDR1-MDCK_ER	mean_absolute_error	0.484456386929356
test	LOG_RLM_CLint	r2	0.1480556789763997
test	LOG_RLM_CLint	pearsonr	0.5204772319953288
test	LOG_RLM_CLint	spearmanr	0.5219128462448617
test	LOG_RLM_CLint	explained_var	0.2671960639836395
test	LOG_RLM_CLint	mean_squared_error	0.46520646395148396
test	LOG_RLM_CLint	mean_absolute_error	0.5577385614341047
test	LOG_RPPB	r2	-0.11818828833858896
test	LOG_RPPB	pearsonr	-0.015211682586716816
test	LOG_RPPB	spearmanr	-0.045818815331010454
test	LOG_RPPB	explained_var	-0.08472806357300566
test	LOG_RPPB	mean_squared_error	0.5504587407420852
test	LOG_RPPB	mean_absolute_error	0.6315802340913148
test	LOG_SOLUBILITY	r2	-0.06976492888017649
test	LOG_SOLUBILITY	pearsonr	0.15556061270422075
test	LOG_SOLUBILITY	spearmanr	0.2261357105789361
test	LOG_SOLUBILITY	explained_var	-0.03955413745789649
test	LOG_SOLUBILITY	mean_squared_error	0.4976524653868999
test	LOG_SOLUBILITY	mean_absolute_error	0.5719189067775197