Search results for "periodic classification"

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Clasificación molecular de los componentes de los aceites de Eucalyptus camaldulensis y de Mentha pulegium

2020

Eucalyptus and Mentha remain flavours in agro-food manufacturing. Oils and components present antifungal potency vs . decay of fruits; E. camaldulensis is led by 1,8-cineole and a -pinene, unlike M. pulegium , which is led by pulegone. The antifungal activity of M. pulegium is three times more frequent than that of E. camaldulensis . The phytochemicals present synergy. Categorization is recommended on the basis of information entropy . The quantity of C-C double bonds, O-atoms and cycles cluster structures. The procedure undergoes a combinatorial upsurge. Nevertheless, following equipartition conjecture, one gets a criterion for selection. Entropy allows clustering phytochemicals according …

HorticultureEucalyptus camaldulensisMolecular classificationInformation entropy23 QuímicaTabla periódicaMentha pulegiumPeriodic tableClasificación periódicaPeriodic classificationEntropía informacionalMathematicsNereis. Interdisciplinary Ibero-American Journal of Methods, Modelling and Simulation.
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Classification of Congeneric and QSAR of Homologous Antileukemic S–Alkylcysteine Ketones

2021

Based on a set of six vector properties, the partial correlation diagram is calculated for a set of 28 S-alkylcysteine diazomethyl- and chloromethyl-ketone derivatives. Those with the greatest antileukemic activity in the same class correspond to high partial correlations. A periodic classification is performed based on information entropy. The first four characteristics denote the group, and the last two indicate the period. Compounds in the same period and, especially, group present similar properties. The most active substances are situated at the bottom right. Nine classes are distinguished. The principal component analysis of the homologous compounds shows five subclasses included in t…

Quantitative structure–activity relationshipLogarithmStereochemistryprincipal component analysisLymphoblastic LeukemiaPharmaceutical Science01 natural sciencesAnalytical Chemistrylcsh:QD241-44103 medical and health sciences0302 clinical medicinelcsh:Organic chemistryGroup (periodic table)Drug DiscoveryPhysical and Theoretical ChemistryPartial correlationperiodic classificationChemistrypartial correlation diagramOrganic ChemistryDiagraminformation entropy0104 chemical sciences010404 medicinal & biomolecular chemistryChemistry (miscellaneous)030220 oncology & carcinogenesisPrincipal component analysisLipinski's rule of fiveMolecular MedicineMolecules
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