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: | 1772-25-4 | |
|---|---|---|
| Name: | 1,3,6-Hexanetricarbonitrile | |
| Description: | ||
| Labels: | eval | |
| CAS: | 1772-25-4 | |
| InChi Code: | InChI=1S/C9H11N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-5H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.002026498 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |