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: | 138786-67-1 | |
|---|---|---|
| Name: | Pantoprazole sodium | |
| Description: | ||
| Labels: | eval | |
| CAS: | 138786-67-1 | |
| InChi Code: | InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.136895365 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |