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: | 403842-84-2 | |
|---|---|---|
| Name: | 1-Methyl-3-octylimidazolium trifluoromethanesulfonate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 403842-84-2 | |
| InChi Code: | InChI=1S/C12H23N2/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14/h10-12H,3-9H2,1-2H3/q+1 |
Properties
BindingClass: Activity in Androgen Receptor
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0 |
Procedure_13: Multivariate Logistic Regression Model (Evaluation set) |