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: | 109-31-9 | |
|---|---|---|
| Name: | Dihexyl nonanedioate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 109-31-9 | |
| InChi Code: | InChI=1S/C21H40O4/c1-3-5-7-14-18-24-20(22)16-12-10-9-11-13-17-21(23)25-19-15-8-6-4-2/h3-19H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.002223513 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |