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: | 4023-65-8 | |
|---|---|---|
| Name: | trans-Aconitic acid | |
| Description: | ||
| Labels: | eval | |
| CAS: | 4023-65-8 | |
| InChi Code: | InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.002972183 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |