The algorithm on automated aromaticity perception of molecules
Data(s) |
2002
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Resumo |
It is important to detect the aromaticity of structures during the process of structure elucidation and output. In this paper, an alogrithm was proposed to detect the aromaticity of structures by the use of algorithm on ring identification. The results show that it could be used to identify most of the aromatic structure. It have been used as constraints of Expert System on Elucidation Structure of Organic Compounds(ESESOC) and a good result has been achieved. |
Identificador | |
Idioma(s) |
中文 |
Fonte |
Hao JF;Xu L .The algorithm on automated aromaticity perception of molecules,CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2002,23(4):559-563 |
Palavras-Chave | #RING PERCEPTION |
Tipo |
期刊论文 |