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: | 4548-53-2 | |
|---|---|---|
| Name: | FD&C Red 4 | |
| Description: | ||
| Labels: | training | |
| CAS: | 4548-53-2 | |
| InChi Code: | InChI=1S/C18H16N2O7S2/c1-10-7-11(2)16(28(22,23)24)8-14(10)19-20-15-9-17(29(25,26)27)12-5-3-4-6-13(12)18(15)21/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27)/b20-19+ |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.11207664 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |