The algorithm on automated aromaticity perception of molecules


Autoria(s): Hao JF; Xu L
Data(s)

2002

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

http://ir.ciac.jl.cn/handle/322003/18651

http://www.irgrid.ac.cn/handle/1471x/154061

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