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

Compound

	ID:	e3865
	Name:	4,4'-Octahydro-1H-4,7-methanoindene-5,5-diyldiphenol
	Description:
	Labels:
	CAS:	1943-97-1
	InChi Code:	InChI=1S/C22H24O2/c23-17-8-4-15(5-9-17)22(16-6-10-18(24)11-7-16)13-14-12-21(22)20-3-1-2-19(14)20/h4-11,14,19-21,23-24H,1-3,12-13H2

Properties

er_ant: Activity in ER antagonist pathway

Value	Source or prediction
antagonist	experimental value
antagonist	Tab3.antagonists: Model for ER activity on antagonists 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)