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: | 133454-47-4 | |
|---|---|---|
| Name: | Iloperidone | |
| Description: | ||
| Labels: | eval | |
| CAS: | 133454-47-4 | |
| InChi Code: | InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.053789687 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |