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: | 860-22-0 | |
|---|---|---|
| Name: | C.I. Acid Blue 74 | |
| Description: | ||
| Labels: | training | |
| CAS: | 860-22-0 | |
| InChi Code: | InChI=1S/C16H10N2O8S2/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14/h1-6,17-18H,(H,21,22,23)(H,24,25,26)/b14-13+ |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.12444319 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |