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: | NOCAS_48514 | |
|---|---|---|
| Name: | PharmaGSID_48514 | |
| Description: | ||
| Labels: | training | |
| CAS: | ||
| InChi Code: | InChI=1S/C17H16ClNO4S/c1-12-3-8-15(16(18)11-12)17(20)19-24(21,22)10-9-13-4-6-14(23-2)7-5-13/h3-11H,1-2H3,(H,19,20)/b10-9+ |
Properties
BindingClass: Activity in Androgen Receptor
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0 |
Procedure_13: Multivariate Logistic Regression Model (Training set) |