10967/235 - QDB Compounds

QsarDB Repository

Garcia-Sosa, A. T.; Maran, U. Combined Naïve Bayesian, chemical fingerprints, and molecular docking classifiers to model and predict androgen receptor binding activity data for environmentally- and health-sensitive substances. Int. J. Mol. Sci. 2021, 22, 6695.

Compound

ID:1192-52-5
Name:4,5-Dichloro-3H-1,2-dithiol-3-one
Description:
Labels:training
CAS:1192-52-5
InChi Code:InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
1

experimental value

0

Procedure_13: Multivariate Logistic Regression Model (Training set)