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:57801-81-7
Name:Brotizolam
Description:
Labels:eval
CAS:57801-81-7
InChi Code:InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
1

experimental value
0

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)