Piir, G.; Sild, S.; Maran, U. Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders. Chemosphere 2023.

Compound

	ID:	e3408
	Name:	Isopropyl methanesulfonate
	Description:
	Labels:
	CAS:	926-06-7
	InChi Code:	InChI=1S/C4H10O3S/c1-4(2)7-8(3,5)6/h4H,1-3H3

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)