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: | 50978-11-5 | |
|---|---|---|
| Name: | Diatrizoic acid dihydrate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 50978-11-5 | |
| InChi Code: | InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.005312644 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |