Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.

Compound

	ID:	e141
	Name:	2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene
	Description:
	Labels:
	CAS:	393-75-9
	InChi Code:	InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H

Properties

Agonists: Activity in AR agonist pathway

Value	Source or prediction
agonist	experimental value
inactive	Agonists_model: Agonist model (Evaluation set)

Binders: Activity in androgen receptor

Value	Source or prediction
binder	experimental value
inactive	Binders_model: Binding model (Evaluation set)

MultiClass: Activity in AR agonist and antagonist pathway

Value	Source or prediction
agonist	experimental value
inactive	MultiClass_model: Multi-Class model (Evaluation set)