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:	e1577
	Name:	2-Picoline
	Description:
	Labels:
	CAS:	109-06-8
	InChi Code:	InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,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)