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: | 4674-50-4 | |
|---|---|---|
| Name: | Nootkatone | |
| Description: | ||
| Labels: | eval | |
| CAS: | 4674-50-4 | |
| InChi Code: | InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.09290363 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |