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: | 1125-21-9 | |
|---|---|---|
| Name: | 2,6,6-Trimethyl-2-cyclohexene-1,4-dione | |
| Description: | ||
| Labels: | eval | |
| CAS: | 1125-21-9 | |
| InChi Code: | InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.020398137 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |