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:	e4940
	Name:	iodine; nonoxynol
	Description:
	Labels:
	CAS:	35860-86-7
	InChi Code:	InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-15-14-18/h10-13,18H,2-9,14-15H2,1H3

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)