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: | 81-48-1 | |
|---|---|---|
| Name: | D&C Violet 2 | |
| Description: | ||
| Labels: | eval | |
| CAS: | 81-48-1 | |
| InChi Code: | InChI=1S/C21H15NO3/c1-12-6-8-13(9-7-12)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.054141143 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |