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: | 17209-72-2 | |
|---|---|---|
| Name: | 3-[Bis(2-hydroxyethyl)amino]propanenitrile | |
| Description: | ||
| Labels: | eval | |
| CAS: | 17209-72-2 | |
| InChi Code: | InChI=1S/C7H14N2O2/c8-2-1-3-9(4-6-10)5-7-11/h10-11H,1,3-7H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.011106253 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |