HBA:结构匹配的新算法及其应用

Tetrahedron Computer Methodology Pub Date : 1989-01-01 DOI:10.1016/0898-5529(89)90009-2

Xu Jun ∗, Zhang Maosen

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引用次数: 5

摘要

提出了结构上行走的概念，并通过行走建立了结构与查询结构(子结构)之间的偏序关系。在此基础上，提出了一种高性能的启发式回溯算法(HBA)。讨论了HBA在分子图形学、合成规划、光谱模拟、一般结构的表示和识别等方面的应用。磁盘上包含源代码(HBA.PAS)和可执行代码(HBA.COM)以及输入文件(DEMO * . hba)。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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HBA: New algorithm for structural match and applications

The concept of 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 concepts above, the authors create the Heuristic-Backtracking Algorithm (HBA) of structural match with high performance. The applications of HBA in molecular graphics, synthetic planning, spectrum simulation, the representation and recognition of general structures are discussed. The source code (HBA.PAS) and executable code (HBA.COM) plus input files (DEMO∗.HBA) are included on disk.

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