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:116255-48-2
Name:Bromuconazole
Description:
Labels:training
CAS:116255-48-2
InChi Code:InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.769140812

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