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    STUDIA CHEMIA - Issue no. 4 / 2015  
         
  Article:   QSAR STUDY ON SEROTONIN DERIVATIVES.

Authors:  MIRCEA V. DIUDEA. 		 
       
         
  Abstract:   A set of 40 serotonin derivatives, downloaded from the PubChem database, was submitted to a QSAR study, following Diudea’s algorithm, in the frame of a hypermolecule, which mimics the „alignment” of drug molecules to the biological receptors. The best models describing log P of this set of serotonins were validated by the leave-one-out procedure, in the external test set and in a new version of prediction by using clusters of similar molecules. The structures have been optimized at PM3 level of theory. Topological indices have been computed by TOPOCLUJ software program.

Keywords: Serotonin, QSAR, Hypermolecule, log P.
 
         
     
         
         
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