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: | 125225-28-7 | |
|---|---|---|
| Name: | Ipconazole | |
| Description: | ||
| Labels: | training | |
| CAS: | 125225-28-7 | |
| InChi Code: | InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.804744615 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |