戒指(化学)
感知
算法
图形
计算机科学
理论计算机科学
化学
有机化学
心理学
神经科学
作者
Luca Baumer,Giordano Sala,Guido Sello
出处
期刊:Computers & chemistry
[Elsevier]
日期:1991-01-01
卷期号:15 (4): 293-299
被引量:10
标识
DOI:10.1016/0097-8485(91)80046-o
摘要
An original algorithm for ring perception in organic chemical structures is presented. It divides rings into two classes to be separately investigated, simplifies the molecular graph and, without finding all possible cycles, efficiently identifies only the SSSR, as required by the synthesis planning program Lilith of which it is a part. Its application to some organic structures and to particular ring systems is reported. An evaluation of speed is included.
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