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: | 518048-05-0 | |
|---|---|---|
| Name: | Raltegravir | |
| Description: | ||
| Labels: | eval | |
| CAS: | 518048-05-0 | |
| InChi Code: | InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,13H,9H2,1-4H3,(H,22,29)(H,24,30) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.110544265 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |