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: | 7212-44-4 | |
|---|---|---|
| Name: | Nerolidol | |
| Description: | ||
| Labels: | training | |
| CAS: | 7212-44-4 | |
| InChi Code: | InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.004038147 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |