10967/234 - QDB Compounds

QsarDB Repository

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:10319-14-9
Name:C.I. Disperse Yellow 64
Description:
Labels:eval
CAS:10319-14-9
InChi Code:InChI=1S/C18H10BrNO3/c19-14-11-7-3-4-8-12(11)20-15(18(14)23)13-16(21)9-5-1-2-6-10(9)17(13)22/h1-8,13,23H

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.402689144

Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)