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The association constants (Ka) for the inclusion complexation of α-cyclodextrin (α-CD) with 72 mono- and 1,4-disubstituted benzenes were predicted successfully by an artificial neural network (ANN) with molar refraction (Rm) and hydrophobic constant (π) as input parameters, which reflect the volume and hydrophobicity of the substituents respectively. The predictions strongly suggested that the inclusion...
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