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:NOCAS_47346
Name:SSR162369
Description:
Labels:training
CAS:
InChi Code:InChI=1S/C18H22F2N6O/c19-18(20)8-15(9-21)25(11-18)16(27)10-24-12-6-13-2-3-14(7-12)26(13)17-22-4-1-5-23-17/h1,4-5,12-15,24H,2-3,6-8,10-11H2/t12?,13?,14?,15-/m0/s1

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value

0

Procedure_13: Multivariate Logistic Regression Model (Training set)