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

Compound

	ID:	e258
	Name:	Pentetic acid
	Description:
	Labels:
	CAS:	67-43-6
	InChi Code:	InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)

Properties

Agonists: Activity in AR agonist pathway

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