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

Compound

	ID:	e123
	Name:	Norethindrone acetate
	Description:
	Labels:
	CAS:	51-98-9
	InChi Code:	InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1

Properties

Agonists: Activity in AR agonist pathway

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

Binders: Activity in androgen receptor

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

MultiClass: Activity in AR agonist and antagonist pathway

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