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:4532-64-3
Name:2,3-Butanedithiol
Description:
Labels:eval
CAS:4532-64-3
InChi Code:InChI=1S/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3
Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.001680911

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