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: | 627-91-8 | |
|---|---|---|
| Name: | Methyl hexanedioate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 627-91-8 | |
| InChi Code: | InChI=1S/C7H12O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H,8,9) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.002643518 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |