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: | 7540-51-4 | |
|---|---|---|
| Name: | (S)-(-)-beta-Citronellol | |
| Description: | ||
| Labels: | training, eval | |
| CAS: | 7540-51-4 | |
| InChi Code: | InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.005181543 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |