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: | 16590-41-3 | |
|---|---|---|
| Name: | Naltrexone | |
| Description: | ||
| Labels: | eval | |
| CAS: | 16590-41-3 | |
| InChi Code: | InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.354469218 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |