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:842-07-9
Name:C.I. Solvent Yellow 14
Description:
Labels:training
CAS:842-07-9
InChi Code:InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H/b18-17+

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.170346071

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