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: | 249296-43-3 | |
|---|---|---|
| Name: | CJ-013610 | |
| Description: | ||
| Labels: | training | |
| CAS: | 249296-43-3 | |
| InChi Code: | InChI=1S/C22H23N3O2S/c1-16-24-11-12-25(16)18-5-7-19(8-6-18)28-20-4-2-3-17(15-20)22(21(23)26)9-13-27-14-10-22/h2-8,11-12,15H,9-10,13-14H2,1H3,(H2,23,26) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.175879745 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |