Informatics of chemical reactions: information entropy as the descriptor of changes in molecular complexity

IF 1.7 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Russian Chemical Bulletin Pub Date : 2024-09-19 DOI:10.1007/s11172-024-4335-2
D. Sh. Sabirov, A. A. Tukhbatullina, A. D. Zimina, I. S. Shepelevich
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引用次数: 0

Abstract

Information entropy is widely used in discrete mathematical chemistry as the descriptor to quantify the structural complexity of molecules. This review covers opportunities to use the information entropy parameters to evaluate changes in the complexity of molecules in both simple and multi-step chemical reactions.

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化学反应信息学:作为分子复杂性变化描述符的信息熵
信息熵在离散数学化学中被广泛用作量化分子结构复杂性的描述符。本综述介绍了在简单和多步化学反应中使用信息熵参数评估分子复杂性变化的机会。
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来源期刊
Russian Chemical Bulletin
Russian Chemical Bulletin 化学-化学综合
CiteScore
2.70
自引率
47.10%
发文量
257
审稿时长
3-8 weeks
期刊介绍: Publishing nearly 500 original articles a year, by leading Scientists from Russia and throughout the world, Russian Chemical Bulletin is a prominent international journal. The coverage of the journal spans practically all areas of fundamental chemical research and is presented in five sections: General and Inorganic Chemistry; Physical Chemistry; Organic Chemistry; Organometallic Chemistry; Chemistry of Natural Compounds and Bioorganic Chemistry.
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