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: | 460081-99-6 | |
|---|---|---|
| Name: | PharmaGSID_48510 | |
| Description: | ||
| Labels: | training | |
| CAS: | 460081-99-6 | |
| InChi Code: | InChI=1S/C21H16F4N2O4/c22-20(23)30-17-7-6-16(10-18(17)31-21(24)25)27(12-13-3-2-8-26-11-13)15-5-1-4-14(9-15)19(28)29/h1-11,20-21H,12H2,(H,28,29) |
Properties
BindingClass: Activity in Androgen Receptor
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0 |
Procedure_13: Multivariate Logistic Regression Model (Training set) |