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    STUDIA CHEMIA - Issue no. 1-2 / 2000  
         
  Article:   CLUJ AND SZEGED INDICES IN PROPERTY MODELING.

Authors:  G. KATONA, M. ARDELEAN, I. HOPARTEAN, M.V. DIUDEA.
 
       
         
  Abstract:  The novel Cluj and Szeged property indices are used for modeling biological and physico-chemical properties of a set of pirazolidin-diones (synthesised in our laboratory). These indices take into account the chemical nature of atoms (mass, electronegativity and partial charge), various kinds of interactions between the fragments of molecules as generated by Cluj and Szeged criteria and the 3D geometry of molecular structures as well. They offer good description for the antimicrobial and antifungal activity, surface tension  and TLC Rf index of the compounds belonging to this class and some insight in the nature of intra- and intermolecular interactions governing the investigated molecular properties.  
         
     
         
         
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