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:	e5583
	Name:	2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene
	Description:
	Labels:
	CAS:	29091-09-6
	InChi Code:	InChI=1S/C7HCl2F3N2O4/c8-4-2(7(10,11)12)1-3(13(15)16)5(9)6(4)14(17)18/h1H

Properties

er_ant: Activity in ER antagonist pathway

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