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: | 3386-87-6 | |
|---|---|---|
| Name: | 3,3'-(Ethylenedioxy)dipropiononitrile | |
| Description: | ||
| Labels: | eval | |
| CAS: | 3386-87-6 | |
| InChi Code: | InChI=1S/C8H12N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.004430096 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |