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: | 197077-55-7 | |
|---|---|---|
| Name: | UK-333747 | |
| Description: | ||
| Labels: | training | |
| CAS: | 197077-55-7 | |
| InChi Code: | InChI=1S/C17H12Cl2N6O4/c1-29-7-11-22-23-15(8-3-2-4-24(28)6-8)25(11)14-12(19)9(18)5-10-13(14)21-17(27)16(26)20-10/h2-6H,7H2,1H3,(H,20,26)(H,21,27) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.259413366 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |