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: | 7246-21-1 | |
|---|---|---|
| Name: | Sodium tyropanoate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 7246-21-1 | |
| InChi Code: | InChI=1S/C15H18I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.153277095 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |