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: | 82469-79-2 | |
|---|---|---|
| Name: | Butyryl trihexyl citrate | |
| Description: | ||
| Labels: | training | |
| CAS: | 82469-79-2 | |
| InChi Code: | InChI=1S/C28H50O8/c1-5-9-12-15-19-33-25(30)22-28(36-24(29)18-8-4,27(32)35-21-17-14-11-7-3)23-26(31)34-20-16-13-10-6-2/h5-23H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.008017068 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |