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    STUDIA CHEMIA - Issue no. 2 / 2004  
         
  Article:   HYDANTOIN DERIVATIVES HPLC-RT LIPOPHILICITIES: A QSPR STUDY.

Authors:  OLEG URSU, MIRCEA V. DIUDEA.
 
       
         
  Abstract:  A quantitative structure-property relationship QSPR investigation was performed on the lipophilicities of a number of hydantoin derivates as measured RT-HPLC retention times provided by Scholl et al1. The lipophilicities (S) were correlated with a series of graph theoretical, geometrical, and electronic descriptors provided by TOPOCLUJ 3.0 software package from PM3-optimized geometry. In second step these descriptors were incorporated into the descriptor matrix to build several QSPRs in view of obtaining prediction models for lipophilicity.  
         
     
         
         
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