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: | 115-37-7 | |
|---|---|---|
| Name: | Thebaine | |
| Description: | ||
| Labels: | eval | |
| CAS: | 115-37-7 | |
| InChi Code: | InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.056070609 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |