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: | 68555-86-2 | |
|---|---|---|
| Name: | Acid Orange 156 | |
| Description: | ||
| Labels: | training | |
| CAS: | 68555-86-2 | |
| InChi Code: | InChI=1S/C21H20N4O5S/c1-14-12-20(25-23-15-4-8-17(29-2)9-5-15)21(30-3)13-19(14)24-22-16-6-10-18(11-7-16)31(26,27)28/h4-13H,1-3H3,(H,26,27,28)/b24-22+,25-23+ |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.129465687 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |