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有机化合物结构匹配的距离矩阵法——计算机辅助有机分子结构信息处理(3)
Authors
严新建
董茜
许志宏
Publication date
1 January 1989
Publisher
Abstract
本文提出了(1)一种数值化的分子色图距离矩阵,由此加工出了结构匹配的线索;(2)提出了可用距离矩阵匹配化合物的猜测,并对这个猜测作了考查。将上述两种概念结合起来,得到了一种简单快速准确的有机化合物匹配方法。该算法的复杂度为 o(mn~3)
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oai:ir.ipe.ac.cn:122111/9469
Last time updated on 09/11/2016