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: | 6398-98-7 | |
|---|---|---|
| Name: | Amodiaquin dihydrochloride dihydrate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 6398-98-7 | |
| InChi Code: | InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.354904622 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |