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: | 25956-17-6 | |
|---|---|---|
| Name: | Allura Red C.I.16035 | |
| Description: | ||
| Labels: | training | |
| CAS: | 25956-17-6 | |
| InChi Code: | InChI=1S/C18H16N2O8S2/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)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 |
| 0.108687602 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |