Molecular Complexity and Retrosynthesis
2017
Proudfoot, John R.
An atom-environment complexity measure, CA, to assess local changes in complexity during synthetic transformations is described. The complexity measure is based on applying Shannon’s equation to the number and diversity of paths up to two bonds in length emanating from an atom node. The method requires no explicit accounting for bond type, stereochemistry, ring membership, symmetry, or molecular size. CA varies with expectation across a number of basic reaction examples and may identify the key disconnections to guide retrosynthesis.
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书目信息
出版者
American Chemical Society
其它主题
Organic chemistry; Stereochemistry
语言
英语
类型
Journal Article; Text
2024-02-28
MODS