摘要
The stability constants (K.) for inclusion complexes of β-cyclodextrin (β-CD) with substituted benzenes were predicted by the Artificial Neural Networks (ANN). The stability constants obtained byANN from the substituent molar refraction (Rmn), hydrophobic coefficient (πn) and Hammett constant (σx) are very close to those determinedexperimentally. It suggested that the van der Waals force and hydrophobic interactions play important roles in CD inclusion complex formation.
The stability constants (K.) for inclusion complexes of β-cyclodextrin (β-CD) with substituted benzenes were predicted by the Artificial Neural Networks (ANN). The stability constants obtained byANN from the substituent molar refraction (Rmn), hydrophobic coefficient (πn) and Hammett constant (σx) are very close to those determinedexperimentally. It suggested that the van der Waals force and hydrophobic interactions play important roles in CD inclusion complex formation.
