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:	e1567
	Name:	Toluene
	Description:
	Labels:
	CAS:	108-88-3
	InChi Code:	InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,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)