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

Compound

	ID:	e990
	Name:	Thiotepa
	Description:
	Labels:
	CAS:	52-24-4
	InChi Code:	InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2

Properties

Agonists: Activity in AR agonist pathway

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