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: | 21216-78-4 | |
|---|---|---|
| Name: | Anacolin | |
| Description: | ||
| Labels: | eval | |
| CAS: | 21216-78-4 | |
| InChi Code: | InChI=1S/C22H28NO2/c1-23(15-9-4-10-16-23)17-21-18-24-22(25-21,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,21H,4,9-10,15-18H2,1H3/q+1 |
Properties
BindingClass: Activity in Androgen Receptor
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0 |
Procedure_13: Multivariate Logistic Regression Model (Evaluation set) |