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: | 201677-61-4 | |
|---|---|---|
| Name: | Sivelestat sodium tetrahydrate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 201677-61-4 | |
| InChi Code: | InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.083489132 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |