Piir, G.; Sild, S.; Maran, U. Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders. Chemosphere 2024, 347, 140671.

Compound

	ID:	e2112
	Name:	Clioquinol
	Description:
	Labels:
	CAS:	130-26-7
	InChi Code:	InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H

Properties

er_ago: Activity in ER agonist pathway

Value	Source or prediction
inactive	experimental value
agonist	Tab3.agonists: Model for ER activity on agonists pathway (Evaluation set)