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Progress in Chemistry 1995, Vol. 7 Issue (04): 323- Previous Articles   Next Articles

• Review •

Canonical Enumeration of Chemical Structures and the Functions of Treating Information

Chen Qixian; Zheng An; Yang Lili   

  1. (Fu jian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002)
  • Received: Revised: Online: Published:
  • Contact: Qixian Chen
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The canonical enumeration of chemical structures has been broadly used as a kind of information index for chemical bibliography since computer entered into use in the field of chemistry. Moreover，it has also got many important uses in developing knowledge as-stems of chemistry. This review summarizes the basic principles of enumeration which are based on topological properties of the structure graphs and the methods of formation From these graphs.Then it analyzes the functions of this structure encoding in the chemical infermation system currently used，including bibliographic databases，chemical reaction databases ,and tlae: knowledge systems for molecular design and synthesis reaction-path plans.
Key words: canonical enumeration;chemical structures;databases;knowledKe sysierras;molecular design;synthesis reaction-path plans
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