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: | 3734-67-6 | |
|---|---|---|
| Name: | C.I. Acid Red 1 | |
| Description: | ||
| Labels: | training | |
| CAS: | 3734-67-6 | |
| InChi Code: | InChI=1S/C18H15N3O8S2/c1-10(22)19-14-9-13(30(24,25)26)7-11-8-15(31(27,28)29)17(18(23)16(11)14)21-20-12-5-3-2-4-6-12/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29)/b21-20+ |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.117616874 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |