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

Compound

	ID:	126
	Name:	2,2'-(Tetradecylimino)diethanol
	Description:
	Labels:
	CAS:	18924-66-8
	InChi Code:	InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(15-17-20)16-18-21/h20-21H,2-18H2,1H3

Properties

Antagonists: Activity in AR antagonist pathway

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

Binders: Activity in androgen receptor

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

MultiClass: Activity in AR agonist and antagonist pathway

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