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: | 577-11-7 | |
|---|---|---|
| Name: | Docusate sodium | |
| Description: | ||
| Labels: | training | |
| CAS: | 577-11-7 | |
| InChi Code: | InChI=1S/C20H38O7S/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.011511819 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |