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基于SGM方法的复杂反应网络自动生成中的分子识别
Authors
张锁江
张香平
申海平
阎龙
Publication date
1 January 2012
Publisher
Abstract
根据分子结构中结构基团个数少于或等于原子个数的规律,提出了基于结构族概念识别分子的SGM方法(Structural groups-based method),发展了新的分子识别工具——连通识别符(Connectivity ID)。连通识别符可以有效地提取分子特征,也可以容易地进行识别同分异构体分子。实例研究表明,SGM方法是有效的分子识别工具
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Institutional Repository of Institute of Process Engineering, CAS (IPE-IR)
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oai:ir.ipe.ac.cn:122111/31785
Last time updated on 05/12/2019
Institutional Repository of Institute of Process Engineering, CAS (IPE-IR)
See this paper in CORE
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oai:ir.ipe.ac.cn:122111/10618
Last time updated on 09/11/2016
Institutional Repository of Institute of Process Engineering, CAS (IPE-IR)
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Go to the repository landing page
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oai:ir.ipe.ac.cn:122111/46558
Last time updated on 11/04/2021