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: | 478149-53-0 | |
|---|---|---|
| Name: | PHA-00543613 | |
| Description: | ||
| Labels: | training | |
| CAS: | 478149-53-0 | |
| InChi Code: | InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.038929568 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |