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:	e3554
	Name:	4-Nitropyridine-1-oxide
	Description:
	Labels:
	CAS:	1124-33-0
	InChi Code:	InChI=1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H

Properties

er_ago: Activity in ER agonist pathway

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