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: | 94-80-4 | |
|---|---|---|
| Name: | 2,4-D 1-butyl ester | |
| Description: | ||
| Labels: | training | |
| CAS: | 94-80-4 | |
| InChi Code: | InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.145244181 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |