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Abstract
A simple model was derived from a principal component anal. (PCA) of partition coeffs. The equation contains a hydrophobic fragmental const. obtainable from PCA, which represents an av. effect of lipophilic and hydrophilic fragments on the hydrophobicity of the solutes in several solvent/water systems, and a term reflecting the quant. correction of hydrophobicity, dependent on the H bonding ...
Abstract
A simple model was derived from a principal component anal. (PCA) of partition coeffs. The equation contains a hydrophobic fragmental const. obtainable from PCA, which represents an av. effect of lipophilic and hydrophilic fragments on the hydrophobicity of the solutes in several solvent/water systems, and a term reflecting the quant. correction of hydrophobicity, dependent on the H bonding abilities of the hydrophilic fragments. The model fully corresponds to the equations derived by Dekker (1977) and by Fujita et al. (1977).
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