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:	633-96-5
	Name:	C.I. Acid Orange 7
	Description:
	Labels:	training
	CAS:	633-96-5
	InChi Code:	InChI=1S/C16H12N2O4S/c19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17+

Properties

bindingClass: Androgen Receptor Binding Class

Value	Source or prediction
0	experimental value
0.087483028	Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)