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: | 58-55-9 | |
|---|---|---|
| Name: | Theophylline | |
| Description: | ||
| Labels: | training | |
| CAS: | 58-55-9 | |
| InChi Code: | InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.023372717 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |