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: | NOCAS_48172 | |
|---|---|---|
| Name: | PharmaGSID_48172 | |
| Description: | ||
| Labels: | training | |
| CAS: | ||
| InChi Code: | InChI=1S/C23H24N4O3S/c28-22-17-7-3-4-8-18(17)23(29)27(22)14-11-20-24-21(30-25-20)19-10-9-16(31-19)15-26-12-5-1-2-6-13-26/h3-4,7-10H,1-2,5-6,11-15H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.123928472 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |