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:	e394
	Name:	Benziodarone
	Description:
	Labels:
	CAS:	68-90-6
	InChi Code:	InChI=1S/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3

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)