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: | 548-73-2 | |
|---|---|---|
| Name: | Droperidol | |
| Description: | ||
| Labels: | eval | |
| CAS: | 548-73-2 | |
| InChi Code: | InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.040369751 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |