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: | 6359-98-4 | |
|---|---|---|
| Name: | C.I. Acid Yellow 17, disodium salt | |
| Description: | ||
| Labels: | training | |
| CAS: | 6359-98-4 | |
| InChi Code: | InChI=1S/C16H12Cl2N4O7S2/c1-8-15(20-19-9-2-4-10(5-3-9)30(24,25)26)16(23)22(21-8)13-6-12(18)14(7-11(13)17)31(27,28)29/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29)/b20-19+ |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.288924008 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |