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: | 123-18-2 | |
|---|---|---|
| Name: | 2,6,8-Trimethyl-4-nonanone | |
| Description: | ||
| Labels: | eval | |
| CAS: | 123-18-2 | |
| InChi Code: | InChI=1S/C12H24O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-11H,6-8H2,1-5H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.001395305 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |