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:53112-28-0
Name:Pyrimethanil
Description:
Labels:training
CAS:53112-28-0
InChi Code:InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value
0

Procedure_13: Multivariate Logistic Regression Model (Training set)