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: | 13997-19-8 | |
|---|---|---|
| Name: | Nequinate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 13997-19-8 | |
| InChi Code: | InChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13,18H,3-4,10,14H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.103745969 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |