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: | 127-39-9 | |
|---|---|---|
| Name: | Sodium 1,4-diisobutyl sulfosuccinate | |
| Description: | ||
| Labels: | training | |
| CAS: | 127-39-9 | |
| InChi Code: | InChI=1S/C12H22O7S/c1-8(2)6-18-11(13)5-10(20(15,16)17)12(14)19-7-9(3)4/h8-10H,5-7H2,1-4H3,(H,15,16,17) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.00450514 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |