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: | 53164-05-9 | |
|---|---|---|
| Name: | Acemetacin | |
| Description: | ||
| Labels: | eval | |
| CAS: | 53164-05-9 | |
| InChi Code: | InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.429704 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |