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: | NOCAS_48505 | |
|---|---|---|
| Name: | PharmaGSID_48505 | |
| Description: | ||
| Labels: | training | |
| CAS: | ||
| InChi Code: | InChI=1S/C17H12ClN5O2/c1-9-15-17(22-21-9)19-14-7-6-10(23(24)25)8-12(14)16(20-15)11-4-2-3-5-13(11)18/h2-8H,1H3,(H2,19,21,22) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.268776886 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |