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:52556-42-0
Name:Sodium 3-(allyloxy)-2-hydroxypropanesulphonate
Description:
Labels:eval
CAS:52556-42-0
InChi Code:InChI=1S/C6H12O5S/c1-2-3-11-4-6(7)5-12(8,9)10/h2,6-7H,1,3-5H2,(H,8,9,10)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.003286403

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