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: | 527680-56-4 | |
|---|---|---|
| Name: | PHA-00568487 | |
| Description: | ||
| Labels: | training | |
| CAS: | 527680-56-4 | |
| InChi Code: | InChI=1S/C16H20N2O3/c19-16(17-13-10-18-5-3-11(13)4-6-18)12-1-2-14-15(9-12)21-8-7-20-14/h1-2,9,11,13H,3-8,10H2,(H,17,19)/t13-/m0/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.261418082 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |