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: | 142-77-8 | |
|---|---|---|
| Name: | 9-Octadecenoic acid (9Z)-, butyl ester | |
| Description: | ||
| Labels: | eval | |
| CAS: | 142-77-8 | |
| InChi Code: | InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.000835983 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |