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: | 5868-05-3 | |
|---|---|---|
| Name: | Niceritrol | |
| Description: | ||
| Labels: | eval | |
| CAS: | 5868-05-3 | |
| InChi Code: | InChI=1S/C29H24N4O8/c34-25(21-5-1-9-30-13-21)38-17-29(18-39-26(35)22-6-2-10-31-14-22,19-40-27(36)23-7-3-11-32-15-23)20-41-28(37)24-8-4-12-33-16-24/h1-16H,17-20H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.098042264 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |