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:	e2013
	Name:	1,4-Dioxane
	Description:
	Labels:
	CAS:	123-91-1
	InChi Code:	InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2

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)