Chemical Research in Chinese Universities ›› 1989, Vol. 5 ›› Issue (2): 179-186.
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Xu Jun, Zhang Maosen
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Abstract: The concept WALKING on structures is proposed, and the partial ordering between a structure and a query structure (substructure) is also created by means of WALKING.Based upon the above concepts, authors create the Heuristic-Backtracking Algorithm (HBA) of structural match with high performance.In the last part of the paper, the applications of HBA in molecular graphics, synthetic planning, spectrum simulation , the representation and recognition of general structures are discussed.
Key words: Algorithm of structural match, Synthetic planning, Representation and recognition of general structure
Xu Jun, Zhang Maosen . Heuristic Backtrack Algorithm for Structural Match and Its Applications[J]. Chemical Research in Chinese Universities, 1989, 5(2): 179-186.
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