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

Compound

	ID:	e4288
	Name:	1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride
	Description:
	Labels:
	CAS:	3327-22-8
	InChi Code:	InChI=1S/C6H15ClNO/c1-8(2,3)5-6(9)4-7/h6,9H,4-5H2,1-3H3/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)