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:112281-77-3
Name:Tetraconazole
Description:
Labels:training
CAS:112281-77-3
InChi Code:InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.483322784

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