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:20098-48-0
Name:3,4,5-Trichloronitrobenzene
Description:
Labels:eval
CAS:20098-48-0
InChi Code:InChI=1S/C6H2Cl3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.096028706

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