{"title":"Tree-structured maximal common subgraph searching. An example of parallel computation with a single sequential processor","authors":"W. Todd Wipke ∗, David Rogers","doi":"10.1016/0898-5529(89)90046-8","DOIUrl":null,"url":null,"abstract":"<div><p>A new maximal common subgraph search algorithm (MCS-1) is described and applied to selection of starting materials for synthesis of a target molecule. This algorithm achieves parallelism of up to 20-fold with a single processor by using a unique storage tree. The storage tree requires only 79% of the storage required by a sequential organization and the storage tree requires only 28% of the bonds to be represented. The algorithm continues to improve relative to the sequential organization as the number of compounds in the library increases. The efficiency of the algorithm was evaluated with four queries for ten different sized libraries, ordered in various ways. An execution trace of MCS-1 is included.</p></div>","PeriodicalId":101214,"journal":{"name":"Tetrahedron Computer Methodology","volume":"2 3","pages":"Pages 177-202"},"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)90046-8","citationCount":"5","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Tetrahedron Computer Methodology","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/0898552989900468","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
A new maximal common subgraph search algorithm (MCS-1) is described and applied to selection of starting materials for synthesis of a target molecule. This algorithm achieves parallelism of up to 20-fold with a single processor by using a unique storage tree. The storage tree requires only 79% of the storage required by a sequential organization and the storage tree requires only 28% of the bonds to be represented. The algorithm continues to improve relative to the sequential organization as the number of compounds in the library increases. The efficiency of the algorithm was evaluated with four queries for ten different sized libraries, ordered in various ways. An execution trace of MCS-1 is included.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
