摘要
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.
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.
