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: | 437-38-7 | |
|---|---|---|
| Name: | Fentanyl | |
| Description: | ||
| Labels: | eval | |
| CAS: | 437-38-7 | |
| InChi Code: | InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.060760818 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |