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
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.043643227 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |