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: | 67786-14-5 | |
|---|---|---|
| Name: | Acid Red 337 | |
| Description: | ||
| Labels: | training | |
| CAS: | 67786-14-5 | |
| InChi Code: | InChI=1S/C17H12F3N3O4S/c18-17(19,20)11-3-1-2-4-13(11)22-23-16-12(21)6-5-9-7-10(28(25,26)27)8-14(24)15(9)16/h1-8,24H,21H2,(H,25,26,27)/b23-22+ |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.138380036 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |