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: | 712-50-5 | |
|---|---|---|
| Name: | Cyclohexylphenylketone | |
| Description: | ||
| Labels: | training | |
| CAS: | 712-50-5 | |
| InChi Code: | InChI=1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.095154574 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |