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: | 87771-40-2 | |
|---|---|---|
| Name: | Ioversol | |
| Description: | ||
| Labels: | eval | |
| CAS: | 87771-40-2 | |
| InChi Code: | InChI=1S/C18H24I3N3O9/c19-13-11(17(32)22-3-8(29)5-26)14(20)16(24(1-2-25)10(31)7-28)15(21)12(13)18(33)23-4-9(30)6-27/h8-9,25-30H,1-7H2,(H,22,32)(H,23,33) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.045736413 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |