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:83657-24-3
Name:Diniconazole
Description:
Labels:training
CAS:83657-24-3
InChi Code:InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.49149431

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