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: | 98769-84-7 | |
|---|---|---|
| Name: | Reboxetine mesylate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 98769-84-7 | |
| InChi Code: | InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.214245463 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |