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:	e1733
	Name:	Undecanoic acid
	Description:
	Labels:
	CAS:	112-37-8
	InChi Code:	InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)

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)