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: | 101-86-0 | |
|---|---|---|
| Name: | 2-Benzylideneoctanal | |
| Description: | ||
| Labels: | training | |
| CAS: | 101-86-0 | |
| InChi Code: | InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.032340307 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |