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    STUDIA CHEMIA - Issue no. 1 / 2016  
         
  Article:   QSAR STUDY OF PHENOTHIAZINES.

Authors:  .
 
       
         
  Abstract:   A QSAR study on a set of 30 phenothiazines performed within a hypermolecule frame, to model their logP and LD50 values, is reported. The initial set of molecules was split into a training set and the test set; Cluj topological indices and some quantum mechanical descriptors have been used to derive the models, which were next tested for predictability by LOO, external validation and similarity clustering.

Key words: phenothiazine, hypermolecule, LD50, logP, topological indices.
 
         
     
         
         
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