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: | 5877-42-9 | |
|---|---|---|
| Name: | 4-Ethyloct-1-yn-3-ol | |
| Description: | ||
| Labels: | training | |
| CAS: | 5877-42-9 | |
| InChi Code: | InChI=1S/C10H18O/c1-4-7-8-9(5-2)10(11)6-3/h3,9-11H,4-5,7-8H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.002732499 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |