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: | 78649-41-9 | |
|---|---|---|
| Name: | Iomeprol | |
| Description: | ||
| Labels: | eval | |
| CAS: | 78649-41-9 | |
| InChi Code: | InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.016684996 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |