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过程工程学报 2003
Research of 2D Substructure Search Program for Chemical Structure Database
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Abstract:
This paper accomplished the substructure search program using object oriented method and VF algorithm. The program has good performance and transplantable character. The results are correct compared with 3DFS. It is suitable to deal with large chemical structure database. And it has been applied to data mining and finding leading drugs from our Traditional Chinese Medical Database.