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: | 6625-46-3 | |
|---|---|---|
| Name: | C.I. Acid Violet 12, disodium salt | |
| Description: | ||
| Labels: | training | |
| CAS: | 6625-46-3 | |
| InChi Code: | InChI=1S/C19H17N3O9S2/c1-10(23)20-14-9-12(32(25,26)27)7-11-8-16(33(28,29)30)18(19(24)17(11)14)22-21-13-5-3-4-6-15(13)31-2/h3-9,24H,1-2H3,(H,20,23)(H,25,26,27)(H,28,29,30)/b22-21+ |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.115871897 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |