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: | 72702-95-5 | |
|---|---|---|
| Name: | Ponalrestat | |
| Description: | ||
| Labels: | eval | |
| CAS: | 72702-95-5 | |
| InChi Code: | InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.101749567 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |