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:54965-21-8
Name:Albendazole
Description:
Labels:eval
CAS:54965-21-8
InChi Code:InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
1

experimental value

0

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)