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: | 125116-23-6 | |
|---|---|---|
| Name: | Metconazole | |
| Description: | ||
| Labels: | training | |
| CAS: | 125116-23-6 | |
| InChi Code: | InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.874846136 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |