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: | 5850-86-2 | |
|---|---|---|
| Name: | C.I. Acid Orange 8, monosodium salt | |
| Description: | ||
| Labels: | training | |
| CAS: | 5850-86-2 | |
| InChi Code: | InChI=1S/C17H14N2O4S/c1-11-10-13(24(21,22)23)7-8-15(11)18-19-17-14-5-3-2-4-12(14)6-9-16(17)20/h2-10,20H,1H3,(H,21,22,23)/b19-18+ |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.0587819 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |