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: | 686756-87-6 | |
|---|---|---|
| Name: | PharmaGSID_48519 | |
| Description: | ||
| Labels: | training | |
| CAS: | 686756-87-6 | |
| InChi Code: | InChI=1S/C22H20BrN5O4/c1-27-20-13(10-28(22(27)30)17-5-3-2-4-16(17)23)9-24-21(26-20)25-14-6-7-18-19(8-14)31-12-15(11-29)32-18/h2-9,15,29H,10-12H2,1H3,(H,24,25,26) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.326904002 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |