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: | 10381-75-6 | |
|---|---|---|
| Name: | 8-Bromotheophylline | |
| Description: | ||
| Labels: | eval | |
| CAS: | 10381-75-6 | |
| InChi Code: | InChI=1S/C7H7BrN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.012752876 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |