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    STUDIA CHEMIA - Issue no. 1 / 2015  
         
  Article:   QSAR STUDY ON (1-METHYLPIPERIDIN-4-YL) PROPANOATE DERIVATIVES BY SIMILARITY CLUSTER PREDICTION.

Authors:  MIRCEA V. DIUDEA.
 
       
         
  Abstract:   Derivatives of (1-methylpiperidin-4-yl) propanoate, with similar biological characteristics, have been reported for patients with Alzheimer disease [1,2]. QSAR study was performed on a set of 40 (1-methylpiperidin-4-yl) propanoate derivatives, downloaded from the PubChem database and aligned over a hypermolecule that mimics the investigated correlational space. The best models describing log P of these (1-methylpiperidin-4-yl) propanoate derivatives were validated by leave-one-out procedure [3] and best predicted within similarity clusters. 

Keywords: (1-methylpiperidin-4-yl) propanoate, log P, QSAR, Hypermolecule, similarity cluster
 
         
     
         
         
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