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

Compound

	ID:	e5041
	Name:	7,7'-(Carbonyldiimino)bis[4-hydroxy-2-naphthalenesulfonic acid]
	Description:
	Labels:
	CAS:	134-47-4
	InChi Code:	InChI=1S/C21H16N2O9S2/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32)

Properties

Antagonists: Activity in AR antagonist pathway

Value	Source or prediction
antagonist	experimental value
inactive	Antagonists_model: Antagonist model (Evaluation set)

Binders: Activity in androgen receptor

Value	Source or prediction
binder	experimental value
inactive	Binders_model: Binding model (Evaluation set)

MultiClass: Activity in AR agonist and antagonist pathway

Value	Source or prediction
antagonist	experimental value
antagonist	MultiClass_model: Multi-Class model (Evaluation set)