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PREDICTION OF RETENTION FACTORS OF PHENOLIC AND NITROGEN-CONTAINING COMPOUNDS IN REVERSED-PHASE LIQUID CHROMATOGRAPHY BASED ON logP AND pKa OBTAINED BY COMPUTATIONAL CHEMICAL CALCULATION
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2000
Year
EngineeringChemical AnalysisSupercritical Fluid ChromatographyChemical CompositionOrganic ChemistryChemistryFood ChemistryOrganic GeochemistryChemical EngineeringGas ChromatographyAnalytical ChemistryLiquid ChromatographyChromatographyNew Logp ValuesChemical MeasurementMeasured Logp ValuesChromatographic AnalysisPharmacologyMass SpectrometryMedicineCache™ Mopac CalculationDrug Analysis
The new logP values (NlogP) of phenolic and nitrogen-containing compounds based on the modified CAChe™ MOPAC calculation improved the correlation coefficient with measured logP values (MlogP) to 0.950 from 0.662 (n = 87).
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