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:5850-86-2
Name:C.I. Acid Orange 8, monosodium salt
Description:
Labels:training
CAS:5850-86-2
InChi Code:InChI=1S/C17H14N2O4S/c1-11-10-13(24(21,22)23)7-8-15(11)18-19-17-14-5-3-2-4-12(14)6-9-16(17)20/h2-10,20H,1H3,(H,21,22,23)/b19-18+

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.0587819

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