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: | 43222-48-6 | |
|---|---|---|
| Name: | Difenzoquat metilsulfate | |
| Description: | ||
| Labels: | training | |
| CAS: | 43222-48-6 | |
| InChi Code: | InChI=1S/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1 |
Properties
BindingClass: Activity in Androgen Receptor
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0 |
Procedure_13: Multivariate Logistic Regression Model (Training set) |