The study on automorphism group of ESESOC
Data(s) |
2002
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Resumo |
It is necessary to generate the automorphism group of a chemical graph in computer-aided structure elucidation. In this paper, an algorithm was developed by the all-paths topological symmetry algorithm to build the automorphism group of a chemical graph. A comparison of several topological symmetry algorithms reveals that the all-paths algorithm (APA) could yield the correct class of a chemical graph. It lays a foundation for the ESESOC system in computer-aided structure elucidation. |
Identificador | |
Idioma(s) |
英语 |
Fonte |
Hao JF;Xu L.The study on automorphism group of ESESOC,COMPUTERS & CHEMISTRY,2002,26(2):119-123 |
Palavras-Chave | #CONNECTIVITIES HOC PROCEDURES #CHEMICAL STRUCTURES #UNIQUE DESCRIPTION #ALGORITHMS #PERCEPTION |
Tipo |
期刊论文 |