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:28981-97-7
Name:Alprazolam
Description:
Labels:eval
CAS:28981-97-7
InChi Code:InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
1

experimental value

1

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)