Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.

Compound

	ID:	6625-46-3
	Name:	C.I. Acid Violet 12, disodium salt
	Description:
	Labels:	training
	CAS:	6625-46-3
	InChi Code:	InChI=1S/C19H17N3O9S2/c1-10(23)20-14-9-12(32(25,26)27)7-11-8-16(33(28,29)30)18(19(24)17(11)14)22-21-13-5-3-4-6-15(13)31-2/h3-9,24H,1-2H3,(H,20,23)(H,25,26,27)(H,28,29,30)/b22-21+

Properties

bindingClass: Androgen Receptor Binding Class

Value	Source or prediction
0	experimental value
0.115871897	Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)