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: | 116714-46-6 | |
|---|---|---|
| Name: | Novaluron | |
| Description: | ||
| Labels: | training | |
| CAS: | 116714-46-6 | |
| InChi Code: | InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.162194492 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |