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: | 623-91-6 | |
|---|---|---|
| Name: | Diethyl (2E)-but-2-enedioate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 623-91-6 | |
| InChi Code: | InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.001846669 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |