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: | 230954-09-3 | |
|---|---|---|
| Name: | CP-544439 | |
| Description: | ||
| Labels: | training | |
| CAS: | 230954-09-3 | |
| InChi Code: | InChI=1S/C18H19FN2O6S/c19-13-1-3-14(4-2-13)27-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.201986401 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |