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: | 725228-45-5 | |
|---|---|---|
| Name: | AVE5638 | |
| Description: | ||
| Labels: | training | |
| CAS: | 725228-45-5 | |
| InChi Code: | InChI=1S/C25H23FN2O2/c26-23-7-2-1-5-20(23)8-9-22-10-11-24(30-22)25(29)28-14-12-19(13-15-28)21-6-3-4-18(16-21)17-27/h1-7,10-11,16,19H,12-15,17,27H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.253343904 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |