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:85371-64-8
Name:Pinacidil monohydrate
Description:
Labels:eval
CAS:85371-64-8
InChi Code:InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value

0

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)