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:	e4454
	Name:	Nonane,1-iodo-
	Description:
	Labels:
	CAS:	4282-42-2
	InChi Code:	InChI=1S/C9H19I/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3

Properties

er_ant: Activity in ER antagonist pathway

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