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: | 6559-91-7 | |
|---|---|---|
| Name: | 4'-Demethylepipodophyllotoxin | |
| Description: | ||
| Labels: | eval | |
| CAS: | 6559-91-7 | |
| InChi Code: | InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.141219198 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |