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

Compound

	ID:	e695
	Name:	Sodium deoxycholate
	Description:
	Labels:
	CAS:	302-95-4
	InChi Code:	InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)

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)