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: | 14293-44-8 | |
|---|---|---|
| Name: | Xipamide | |
| Description: | ||
| Labels: | eval | |
| CAS: | 14293-44-8 | |
| InChi Code: | InChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.427324486 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |