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: | 111-97-7 | |
|---|---|---|
| Name: | 3,3'-Thiodipropionitrile | |
| Description: | ||
| Labels: | eval | |
| CAS: | 111-97-7 | |
| InChi Code: | InChI=1S/C6H8N2S/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.00287068 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |