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: | 41748-47-4 | |
|---|---|---|
| Name: | Bentiromide sodium | |
| Description: | ||
| Labels: | eval | |
| CAS: | 41748-47-4 | |
| InChi Code: | InChI=1S/C23H20N2O5/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.242323296 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |