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: | 154361-50-9 | |
|---|---|---|
| Name: | Capecitabine | |
| Description: | ||
| Labels: | eval | |
| CAS: | 154361-50-9 | |
| InChi Code: | InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.096315707 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |