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:	e5098
	Name:	Tibrofan
	Description:
	Labels:
	CAS:	15686-72-3
	InChi Code:	InChI=1S/C11H6Br3NOS/c12-6-1-3-7(4-2-6)15-11(16)9-5-8(13)10(14)17-9/h1-5H,(H,15,16)

Properties

er_ago: Activity in ER agonist pathway

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