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

Compound

	ID:	e4829
	Name:	Mannuronic acid lactone
	Description:
	Labels:
	CAS:	7424-09-1
	InChi Code:	InChI=1S/C6H8O6/c7-1-3-2(8)5(9)12-4(1)6(10)11-3/h1-5,7-9H

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)