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: | 4904-61-4 | |
|---|---|---|
| Name: | 1,5,9-Cyclododecatriene | |
| Description: | ||
| Labels: | training | |
| CAS: | 4904-61-4 | |
| InChi Code: | InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.010044817 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |