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: | 676116-04-4 | |
|---|---|---|
| Name: | PD 0343701 | |
| Description: | ||
| Labels: | training | |
| CAS: | 676116-04-4 | |
| InChi Code: | InChI=1S/C25H30N4OS/c1-17-14-18(15-20-23(17)26-22(30)16-25(20,2)3)8-9-28-10-12-29(13-11-28)24-19-6-4-5-7-21(19)31-27-24/h4-7,14-15H,8-13,16H2,1-3H3,(H,26,30) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.549643971 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |