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:609-54-1
Name:2,5-Dimethylbenzenesulfonic acid
Description:
Labels:eval, training
CAS:609-54-1
InChi Code:InChI=1S/C8H10O3S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.043643227

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