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: | 202409-33-4 | |
|---|---|---|
| Name: | Etoricoxib | |
| Description: | ||
| Labels: | eval | |
| CAS: | 202409-33-4 | |
| InChi Code: | InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.276809743 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |