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    STUDIA CHEMIA - Issue no. 2 / 2003  
         
  Article:   MODELING BIOLOGICAL ACTIVITY OF (3-PYRIDYLMETHYL)BENZOQUINONE DERIVATIVES.

Authors:  CRINA V. VERES, MIHAELA CĂPRIOARĂ, CSABA L. NAGY, MIRCEA V. DIUDEA.
 
       
         
  Abstract:  (3-Pyridylmethyl)benzoquinone derivatives inhibit thromboxane A2 synthase and leukotriene biosynthesis enzymes. For such chemicals, a QSAR study has been performed in order to stress the relation between the molecular structures and their biological activity. The models are built up on the ground of hypermolecule concept. Partial charges, autocorrelated by a multivariate regression, are used for molecular description. The hypermolecule has the meaning of a complement of the investigated biological receptor space. A general procedure for developing and validating QSAR models is given.  
         
     
         
         
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