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K-means clustering analysis, ADME/pharmacokinetic prediction, MEP, and molecular docking studies of potential cytotoxic agents

Ahlem Belkadi, Samir Kenouche, Nadjib Melkemi, Ismail Daoud, R. Djebaïli

2021Structural Chemistry25 citationsDOI

Topics & Concepts

ChemistrySilhouetteADMECluster (spacecraft)Cluster analysisMoleculeMolecular descriptorPrincipal component analysisBiological systemComputational chemistryStereochemistryQuantitative structure–activity relationshipArtificial intelligenceComputer scienceBiochemistryOrganic chemistryBiologyIn vitroProgramming languageComputational Drug Discovery MethodsSynthesis and biological activityMulticomponent Synthesis of Heterocycles
K-means clustering analysis, ADME/pharmacokinetic prediction, MEP, and molecular docking studies of potential cytotoxic agents | Litcius