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: | 1095-90-5 | |
|---|---|---|
| Name: | Methadone hydrochloride | |
| Description: | ||
| Labels: | training | |
| CAS: | 1095-90-5 | |
| InChi Code: | InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.113836875 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |