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:	e1244
	Name:	Benzonitrile
	Description:
	Labels:
	CAS:	100-47-0
	InChi Code:	InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H

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)