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:	e4130
	Name:	4-Nitrohippuric acid
	Description:
	Labels:
	CAS:	2645-07-0
	InChi Code:	InChI=1S/C9H8N2O5/c12-8(13)5-10-9(14)6-1-3-7(4-2-6)11(15)16/h1-4H,5H2,(H,10,14)(H,12,13)

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)