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:133855-98-8
Name:Epoxiconazole
Description:
Labels:training
CAS:133855-98-8
InChi Code:InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.438722776

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