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: | 519-37-9 | |
|---|---|---|
| Name: | Etofylline | |
| Description: | ||
| Labels: | eval | |
| CAS: | 519-37-9 | |
| InChi Code: | InChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.01912231 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |