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: | 98631-95-9 | |
|---|---|---|
| Name: | Sobuzoxane | |
| Description: | ||
| Labels: | eval | |
| CAS: | 98631-95-9 | |
| InChi Code: | InChI=1S/C22H34N4O10/c1-15(2)11-33-21(31)35-13-25-17(27)7-23(8-18(25)28)5-6-24-9-19(29)26(20(30)10-24)14-36-22(32)34-12-16(3)4/h15-16H,5-14H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.036207679 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |