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: | 55726-47-1 | |
|---|---|---|
| Name: | Enocitabine | |
| Description: | ||
| Labels: | eval | |
| CAS: | 55726-47-1 | |
| InChi Code: | InChI=1S/C31H55N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(36)32-26-22-23-34(31(39)33-26)30-29(38)28(37)25(24-35)40-30/h22-23,25,28-30,35,37-38H,2-21,24H2,1H3,(H,32,33,36,39) |
Properties
BindingClass: Activity in Androgen Receptor
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0 |
Procedure_13: Multivariate Logistic Regression Model (Evaluation set) |