Computer perception of topological symmetry by all-paths algorithm
文献类型:期刊论文
作者 | Hu CY ; Xu L |
刊名 | chemometrics and intelligent laboratory systems
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出版日期 | 1999 |
卷号 | 45期号:1-2页码:317-322 |
关键词 | MOLECULAR-IDENTIFICATION NUMBERS SYSTEM |
ISSN号 | 0169-7439 |
通讯作者 | xu, l, chinese acad sci, changchun inst appl chem, changchun 130022, peoples r china |
中文摘要 | during the development of our esesoc system (expert system for the elucidation of the structures of organic compounds), computer perception of topological symmetry is essential in searching for the canonical description of a molecular structure, removing the irredundant connections in the structure generation process, and specifying the number of peaks in c-13- and h-1-nmr spectra in the structure evaluation process. in the present paper, a new path identifier is introduced and an algorithm for detection of topological symmetry from a connection table is developed by the all-paths method. (c) 1999 elsevier science b.v. all rights reserved. |
收录类别 | CSCD收录国内期刊论文 |
语种 | 英语 |
WOS记录号 | WOS:000078497200036 |
公开日期 | 2010-11-04 |
源URL | [http://202.98.16.49/handle/322003/22037] ![]() |
专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
推荐引用方式 GB/T 7714 | Hu CY,Xu L. Computer perception of topological symmetry by all-paths algorithm[J]. chemometrics and intelligent laboratory systems,1999,45(1-2):317-322. |
APA | Hu CY,&Xu L.(1999).Computer perception of topological symmetry by all-paths algorithm.chemometrics and intelligent laboratory systems,45(1-2),317-322. |
MLA | Hu CY,et al."Computer perception of topological symmetry by all-paths algorithm".chemometrics and intelligent laboratory systems 45.1-2(1999):317-322. |
入库方式: OAI收割
来源:长春应用化学研究所
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