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: | 169590-42-5 | |
|---|---|---|
| Name: | Celecoxib | |
| Description: | ||
| Labels: | training | |
| CAS: | 169590-42-5 | |
| InChi Code: | InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.093924187 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |