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    STUDIA CHEMIA - Issue no. 2 / 2008  
         
  Article:   SPECTRAL-SAR: OLD WINE IN NEW BOTTLE.

Authors:  MIHAI V. PUTZ, ANA-MARIA PUTZ.
 
       
         
  Abstract:   With the aim providing an efficient and simple scheme of correlation between the chemical structures – on one hand – and the chemical properties or biological activities – on other hand – the available QSAR schemes are firstly grouped within classical, 3-dimensional, decisional, and orthogonal schemes while shortly reviewed their characteristics. Then, particular attention is paid on the recent orthogonal QSAR method, namely Spectral-SAR (S-SAR) algorithm, of which mathematical principles along its computational advantages are exposed. Application of S-SAR methodology is also given by modeling the mechanistic hierarchy of some xenobiotics ecotoxicology on the battery of Protista, Monera, and Animalia species kingdoms.  
         
     
         
         
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