Garcia-Sosa, A. T.; Maran, U. Combined Naïve Bayesian, chemical fingerprints, and molecular docking classifiers to model and predict androgen receptor binding activity data for environmentally- and health-sensitive substances. Int. J. Mol. Sci. 2021, 22, 6695.
Compound
| ID: | 114856-44-9 | |
|---|---|---|
| Name: | Oberadilol | |
| Description: | ||
| Labels: | eval | |
| CAS: | 114856-44-9 | |
| InChi Code: | InChI=1S/C25H30ClN5O3/c1-16-10-23(33)30-31-24(16)17-5-8-20(9-6-17)28-15-25(2,3)29-13-21(32)14-34-22-11-19(26)7-4-18(22)12-27/h4-9,11,16,21,24,28-29,32H,10,13-15H2,1-3H3 |
Properties
BindingClass: Activity in Androgen Receptor
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0 |
Procedure_13: Multivariate Logistic Regression Model (Evaluation set) |