{"title":"HBA:结构匹配的新算法及其应用","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":"{\"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}","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}
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.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
