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:82-68-8
Name:Pentachloronitrobenzene
Description:
Labels:training
CAS:82-68-8
InChi Code:InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.013693741

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