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:	e1166
	Name:	4-tert-Butylbenzoic acid
	Description:
	Labels:
	CAS:	98-73-7
	InChi Code:	InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)

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)