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: | 55096-26-9 | |
|---|---|---|
| Name: | Nalmefene | |
| Description: | ||
| Labels: | eval | |
| CAS: | 55096-26-9 | |
| InChi Code: | InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.291226708 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |