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

Compound

	ID:	e4941
	Name:	Toltrazuril sulfone
	Description:
	Labels:
	CAS:	69004-04-2
	InChi Code:	InChI=1S/C18H14F3N3O6S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)30-12-4-6-13(7-5-12)31(28,29)18(19,20)21/h3-9H,1-2H3,(H,22,25,26)

Properties

Antagonists: Activity in AR antagonist pathway

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