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

Compound

	ID:	e112
	Name:	Testosterone 17-phenylpropionate
	Description:
	Labels:
	CAS:	1255-49-8
	InChi Code:	InChI=1S/C28H36O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h3-7,18,22-25H,8-17H2,1-2H3/t22-,23-,24-,25-,27-,28-/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)