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: | 70476-82-3 | |
|---|---|---|
| Name: | Mitoxantrone dihydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 70476-82-3 | |
| InChi Code: | InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.11039455 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |