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

Compound

	ID:	e66
	Name:	Halometasone hydrate
	Description:
	Labels:
	CAS:	1310709-74-0
	InChi Code:	InChI=1S/C22H27ClF2O5.H2O/c1-10-4-11-12-5-15(24)13-6-16(27)14(23)7-19(13,2)21(12,25)17(28)8-20(11,3)22(10,30)18(29)9-26;/h6-7,10-12,15,17,26,28,30H,4-5,8-9H2,1-3H3;1H2/t10-,11+,12+,15+,17+,19+,20+,21+,22+;/m1./s1

Properties

Agonists: Activity in AR agonist pathway

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

Antagonists: Activity in AR antagonist pathway

Value	Source or prediction
antagonist	experimental value
antagonist	Antagonists_model: Antagonist model (Evaluation set)

Binders: Activity in androgen receptor

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