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:98-95-3
Name:Nitrobenzene
Description:
Labels:training
CAS:98-95-3
InChi Code:InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.020457847

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