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

Compound

	ID:	1272
	Name:	C.I. Direct Yellow 12
	Description:
	Labels:
	CAS:	2870-32-8
	InChi Code:	InChI=1S/C30H28N4O8S2/c1-3-41-27-15-11-23(12-16-27)31-33-25-9-7-21(29(19-25)43(35,36)37)5-6-22-8-10-26(20-30(22)44(38,39)40)34-32-24-13-17-28(18-14-24)42-4-2/h5-20H,3-4H2,1-2H3,(H,35,36,37)(H,38,39,40)/b6-5+,33-31+,34-32+

Properties

Antagonists: Activity in AR antagonist pathway

Value	Source or prediction
inactive	experimental value
inactive	Antagonists_model: Antagonist model (Training set)
antagonist	Antagonists_model: Antagonist model (OOB)