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: | 10213-75-9 | |
|---|---|---|
| Name: | 3-((2-Ethylhexyl)oxy)propionitrile | |
| Description: | ||
| Labels: | eval | |
| CAS: | 10213-75-9 | |
| InChi Code: | InChI=1S/C11H21NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-7,9-10H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.001952038 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |