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: | 19774-82-4 | |
|---|---|---|
| Name: | Amiodarone hydrochloride | |
| Description: | ||
| Labels: | training | |
| CAS: | 19774-82-4 | |
| InChi Code: | InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.165301972 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |