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:	e7328
	Name:	PharmaGSID_48506
	Description:
	Labels:
	CAS:	588941-45-1
	InChi Code:	InChI=1S/C19H22ClN3O3S/c1-27(25,26)17-7-6-14(11-16(17)20)15(10-13-4-2-3-5-13)19(24)23-18-12-21-8-9-22-18/h6-9,11-13,15H,2-5,10H2,1H3,(H,22,23,24)

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)