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:	e4468
	Name:	Metanixin
	Description:
	Labels:
	CAS:	4394-04-1
	InChi Code:	InChI=1S/C14H14N2O2/c1-9-5-3-6-10(2)12(9)16-13-11(14(17)18)7-4-8-15-13/h3-8H,1-2H3,(H,15,16)(H,17,18)

Properties

er_ant: Activity in ER antagonist pathway

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