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: | 472-66-2 | |
|---|---|---|
| Name: | 2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde | |
| Description: | ||
| Labels: | eval | |
| CAS: | 472-66-2 | |
| InChi Code: | InChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.018783192 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |