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: | 149-57-5 | |
|---|---|---|
| Name: | 2-Ethylhexanoic acid | |
| Description: | ||
| Labels: | training | |
| CAS: | 149-57-5 | |
| InChi Code: | InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.001551247 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |