10967/235 - QDB Compounds

QsarDB Repository

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:154598-52-4
Name:Efavirenz
Description:
Labels:eval
CAS:154598-52-4
InChi Code:InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
1

experimental value

1

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)