{"title":"HBA: New algorithm for structural match and applications","authors":"Xu Jun ∗, Zhang Maosen","doi":"10.1016/0898-5529(89)90009-2","DOIUrl":null,"url":null,"abstract":"<div><p>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.</p></div>","PeriodicalId":101214,"journal":{"name":"Tetrahedron Computer Methodology","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"1989-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0898-5529(89)90009-2","citationCount":"5","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Tetrahedron Computer Methodology","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/0898552989900092","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 5
Abstract
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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