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

Compound

	ID:	e2408
	Name:	Isocyanatocyclohexane
	Description:
	Labels:
	CAS:	3173-53-3
	InChi Code:	InChI=1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2

Properties

Agonists: Activity in AR agonist pathway

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