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

Compound

	ID:	e3002
	Name:	Benzyl isothiocyanate
	Description:
	Labels:
	CAS:	622-78-6
	InChi Code:	InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2

Properties

Agonists: Activity in AR agonist pathway

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