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: | 192939-46-1 | |
|---|---|---|
| Name: | Ximelagatran | |
| Description: | ||
| Labels: | eval | |
| CAS: | 192939-46-1 | |
| InChi Code: | InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21-22,26H,2-7,12-15,25H2,1H3,(H,27,31) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.123188304 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |