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: | 625-28-5 | |
|---|---|---|
| Name: | Isovaleronitrile | |
| Description: | ||
| Labels: | eval | |
| CAS: | 625-28-5 | |
| InChi Code: | InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.002551273 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |