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:18480-53-0
Name:3,4-Dichloro-5-isothiazolecarboxylic acid
Description:
Labels:eval
CAS:18480-53-0
InChi Code:InChI=1S/C4HCl2NO2S/c5-1-2(4(8)9)10-7-3(1)6/h(H,8,9)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.014885322

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