The STUDIA UNIVERSITATIS BABEÅž-BOLYAI issue article summary

The summary of the selected article appears at the bottom of the page. In order to get back to the contents of the issue this article belongs to you have to access the link from the title. In order to see all the articles of the archive which have as author/co-author one of the authors mentioned below, you have to access the link from the author's name.

 
       
         
    STUDIA CHEMIA - Issue no. 2 / 2004  
         
  Article:   TOPOLOGICAL DESCRIPTORS IN WEIGHTED MOLECULAR GRAPHS, APPLICATIONS IN QSPR MODELING.

Authors:  OLEG URSU, MIRCEA V. DIUDEA.
 
       
         
  Abstract:  Organic compounds containing heteroatoms or multiple bonds can be represented as vertex weighted and edge weighted molecular graphs. Different types of weighting schemes can be applied by computing parameter set containing each type of heteroatom. Topological descriptors derived from such weighting schemes are used to develop quantitative structure – property relationship (QSPR) models (property being the molar refraction) for a mixed set of alcohols, amines, and organic halides.  
         
     
         
         
      Back to previous page