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: | 85468-01-5 | |
|---|---|---|
| Name: | Gusperimus trihydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 85468-01-5 | |
| InChi Code: | InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.007936098 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |