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:	e1746
	Name:	Lethane 384
	Description:
	Labels:
	CAS:	112-56-1
	InChi Code:	InChI=1S/C9H17NO2S/c1-2-3-4-11-5-6-12-7-8-13-9-10/h2-8H2,1H3

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)