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

Compound

	ID:	e2475
	Name:	1-Ethylpyridinium hexafluorophosphate
	Description:
	Labels:
	CAS:	103173-73-5
	InChi Code:	InChI=1S/C7H10N/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1

Properties

er_ago: Activity in ER agonist pathway

Value	Source or prediction
inactive	experimental value
inactive	Tab3.agonists: Model for ER activity on agonists pathway (Evaluation set)