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: | 64204-55-3 | |
|---|---|---|
| Name: | Esaprazole | |
| Description: | ||
| Labels: | eval | |
| CAS: | 64204-55-3 | |
| InChi Code: | InChI=1S/C12H23N3O/c16-12(10-15-8-6-13-7-9-15)14-11-4-2-1-3-5-11/h11,13H,1-10H2,(H,14,16) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.02079597 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |