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: | 90357-06-5 | |
|---|---|---|
| Name: | Bicalutamide | |
| Description: | ||
| Labels: | training | |
| CAS: | 90357-06-5 | |
| InChi Code: | InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.402485759 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |