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: | 41621-49-2 | |
|---|---|---|
| Name: | Ciclopirox olamine | |
| Description: | ||
| Labels: | eval | |
| CAS: | 41621-49-2 | |
| InChi Code: | InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.170138223 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |