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: | 2270-60-2 | |
|---|---|---|
| Name: | Methyl citronellate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 2270-60-2 | |
| InChi Code: | InChI=1S/C11H20O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,10H,5,7-8H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.001574167 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |