Empirical regressions between system parameters and solute descriptors of polyparameter linear free energy relationships (PPLFERs) for predicting solvent-air partitioning
Trevor N. Brown
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ChemistryPartition coefficientMolecular descriptorLinear regressionThermodynamicsLeverage (statistics)Work (physics)Empirical modellingSolventFree-energy relationshipBiological systemQuantitative structure–activity relationshipStatisticsChromatographyOrganic chemistryMathematicsComputer scienceKineticsStereochemistryPhysicsQuantum mechanicsProgramming languageBiologyReaction rate constantAnalytical Chemistry and ChromatographyComputational Drug Discovery MethodsCrystallization and Solubility Studies