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: | 87-19-4 | |
|---|---|---|
| Name: | Isobutyl salicylate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 87-19-4 | |
| InChi Code: | InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.050422326 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |