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: | 561-27-3 | |
|---|---|---|
| Name: | 3,6-Diacetylmorphine | |
| Description: | ||
| Labels: | eval | |
| CAS: | 561-27-3 | |
| InChi Code: | InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.06053224 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |