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

Compound

	ID:	1524
	Name:	Bromocriptine mesylate
	Description:
	Labels:
	CAS:	22260-51-1
	InChi Code:	InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)

Properties

Agonists: Activity in AR agonist pathway

Value	Source or prediction
agonist	experimental value
agonist	Agonists_model: Agonist model (Training set)
agonist	Agonists_model: Agonist model (OOB)

Binders: Activity in androgen receptor

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

MultiClass: Activity in AR agonist and antagonist pathway

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