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: | 113734-18-2 | |
|---|---|---|
| Name: | CP-114271 | |
| Description: | ||
| Labels: | training | |
| CAS: | 113734-18-2 | |
| InChi Code: | InChI=1S/C17H19F3N2O4S/c1-10(6-11-2-4-12(5-3-11)26-8-15(24)25)21-7-14(23)13-9-27-16(22-13)17(18,19)20/h2-5,9-10,14,21,23H,6-8H2,1H3,(H,24,25) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.211835068 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |