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: | 118-56-9 | |
|---|---|---|
| Name: | 3,3,5-Trimethylcyclohexyl salicylate | |
| Description: | ||
| Labels: | training | |
| CAS: | 118-56-9 | |
| InChi Code: | InChI=1S/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.534084361 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |