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:101-27-9
Name:Barban
Description:
Labels:eval
CAS:101-27-9
InChi Code:InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)
Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value
0.169063076

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