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:79455-30-4
Name:Nicaraven
Description:
Labels:eval
CAS:79455-30-4
InChi Code:InChI=1S/C15H16N4O2/c1-11(19-15(21)13-5-3-7-17-10-13)8-18-14(20)12-4-2-6-16-9-12/h2-7,9-11H,8H2,1H3,(H,18,20)(H,19,21)

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value

0

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)