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: | 69852-45-5 | |
|---|---|---|
| Name: | 3-{[3-(Dimethylamino)propyl]amino}propanenitrile | |
| Description: | ||
| Labels: | eval | |
| CAS: | 69852-45-5 | |
| InChi Code: | InChI=1S/C8H17N3/c1-11(2)8-4-7-10-6-3-5-9/h10H,3-4,6-8H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.024399004 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |