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: | 1320-07-6 | |
|---|---|---|
| Name: | C.I. Acid Orange 24, monosodium salt | |
| Description: | ||
| Labels: | training | |
| CAS: | 1320-07-6 | |
| InChi Code: | InChI=1S/C20H18N4O5S/c1-12-3-8-16(13(2)11-12)22-24-19-18(25)10-9-17(20(19)26)23-21-14-4-6-15(7-5-14)30(27,28)29/h3-11,25-26H,1-2H3,(H,27,28,29)/b23-21+,24-22+ |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.121717207 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |