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:65899-73-2
Name:Tioconazole
Description:
Labels:eval
CAS:65899-73-2
InChi Code:InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.62517564

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