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: | 501027-49-2 | |
|---|---|---|
| Name: | PD-0333941 | |
| Description: | ||
| Labels: | training | |
| CAS: | 501027-49-2 | |
| InChi Code: | InChI=1S/C23H22N2O4/c1-16-19(24-23(29-16)17-6-3-2-4-7-17)12-15-28-21-9-5-8-20-18(21)10-13-25(20)14-11-22(26)27/h2-10,13H,11-12,14-15H2,1H3,(H,26,27) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.100803869 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |