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Progress in Chemistry 2001, Vol. 13 Issue (06): 436- Previous Articles   Next Articles

• Review •

Recent Progress in Comparative Molecular Field Analysis

Hou Tingjun;Xu Xiaojie**   

  1. College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China
  • Received: Revised: Online: Published:
  • Contact: Xu Xiaojie
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Comparative molecular field analysis (CoMFA ) may be the most widely used technique in three dimensional quantitative structure activity relation ships. But the conventional CoM FA exists some defects, including the selection of potential function of molecular field, the determination of bioactive conformers, the molecular alignment and the selection of variable of molecular fields, etc. In th is paper, the recent progress in CoMFA , as well as some research work in our lab are introduced. With these improvement s, CoMFA will play more important role in computer aided drug design.
Key words: comparative molecular field analysis(CoMFA ), QSAR, 3D2QSAR, genetic algorithm

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