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: | 55512-33-9 | |
|---|---|---|
| Name: | Pyridate | |
| Description: | ||
| Labels: | training | |
| CAS: | 55512-33-9 | |
| InChi Code: | InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.146589311 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |