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: | 53518-16-4 | |
|---|---|---|
| Name: | 2H-Pyrano[3,2-g]quinolin-2-one, 6,7,8,9-tetrahydro-4-(trifluoromethyl)- | |
| Description: | ||
| Labels: | eval | |
| CAS: | 53518-16-4 | |
| InChi Code: | InChI=1S/C13H10F3NO2/c14-13(15,16)9-5-12(18)19-11-6-10-7(4-8(9)11)2-1-3-17-10/h4-6,17H,1-3H2 |
Properties
BindingClass: Activity in Androgen Receptor
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0 |
Procedure_13: Multivariate Logistic Regression Model (Evaluation set) |