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: | 16423-68-0 | |
|---|---|---|
| Name: | FD&C Red 3 | |
| Description: | ||
| Labels: | training | |
| CAS: | 16423-68-0 | |
| InChi Code: | InChI=1S/C20H8I4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.244044293 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |