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

Compound

	ID:	e7504
	Name:	2-[Bis(4-hydroxyphenyl)methyl]benzylalkohol = Phenolphthalol
	Description:
	Labels:
	CAS:	81-92-5
	InChi Code:	InChI=1S/C20H18O3/c21-13-16-3-1-2-4-19(16)20(14-5-9-17(22)10-6-14)15-7-11-18(23)12-8-15/h1-12,20-23H,13H2

Properties

er_ago: Activity in ER agonist pathway

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

er_bin: Binding activity in estrogen receptor

Value	Source or prediction
binder	experimental value
binder	Tab3.binders: Model for binding in ER (Evaluation set)