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:393-75-9
Name:2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene
Description:
Labels:eval
CAS:393-75-9
InChi Code:InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.14828746

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