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:5165-97-9
Name:2-Acrylamido-2-methylpropanesulphonate sodium salt
Description:
Labels:eval
CAS:5165-97-9
InChi Code:InChI=1S/C7H13NO4S/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.005386515

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