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

Compound

	ID:	e909
	Name:	Octoclothepine maleate
	Description:
	Labels:
	CAS:	4789-68-8
	InChi Code:	InChI=1S/C19H21ClN2S.C4H4O4/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;5-3(6)1-2-4(7)8/h2-7,13,17H,8-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

Properties

Agonists: Activity in AR agonist pathway

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