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: | 171599-83-0 | |
|---|---|---|
| Name: | Sildenafil citrate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 171599-83-0 | |
| InChi Code: | InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.161849647 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |