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:64211-46-7
Name:Oxiconazole nitrate
Description:
Labels:eval
CAS:64211-46-7
InChi Code:InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.634678012

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