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: | 882172-79-4 | |
|---|---|---|
| Name: | 1-Butyl-4-methylpyridinium trifluoromethanesulfonate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 882172-79-4 | |
| InChi Code: | InChI=1S/C10H16N/c1-3-4-7-11-8-5-10(2)6-9-11/h5-6,8-9H,3-4,7H2,1-2H3/q+1 |
Properties
BindingClass: Activity in Androgen Receptor
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0 |
Procedure_13: Multivariate Logistic Regression Model (Evaluation set) |