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: | 101526-62-9 | |
|---|---|---|
| Name: | Sematilide monohydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 101526-62-9 | |
| InChi Code: | InChI=1S/C14H23N3O3S/c1-4-17(5-2)11-10-15-14(18)12-6-8-13(9-7-12)16-21(3,19)20/h6-9,16H,4-5,10-11H2,1-3H3,(H,15,18) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.021194498 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |