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: | 1620-21-9 | |
|---|---|---|
| Name: | Chlorcyclizine hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 1620-21-9 | |
| InChi Code: | InChI=1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3 |
Properties
BindingClass: Activity in Androgen Receptor
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 1 |
Procedure_13: Multivariate Logistic Regression Model (Evaluation set) |