The 'wired' universe of organic chemistry
The 'wired' universe of organic chemistry
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DOI：
10.1038/nchem.136
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发表时间：
2009-04-01
期刊：
影响因子：
21.8
通讯作者：
Wilmer, Christopher E.
中科院分区：
文献类型：
--
作者：
Grzybowski, Bartosz A.;Bishop, Kyle J. M.;Wilmer, Christopher E.
在过去的两个世纪里，有机化学家进行了数百万次反应，合成了数百万种化合物，形成了一个比高等生物的代谢网络更大的网络，其复杂性可与万维网相媲美。尽管化学网络具有明显的随机性，但它有一个定义明确的模块化架构。网络根据自学科成立以来没有改变的趋势及时发展，从而预测化学的未来。使用网络理论的工具进行有机化学分析，可以识别大多数“中心”有机分子，并预测未来将产生哪些分子以及有多少分子。基于网络连通性的统计分析在优化并行合成、估计化学反应性等方面非常有用。
The millions of reactions performed and compounds synthesized by organic chemists over the past two centuries connect to form a network larger than the metabolic networks of higher organisms and rivalling the complexity of the World Wide Web. Despite its apparent randomness, the network of chemistry has a well-defined, modular architecture. The network evolves in time according to trends that have not changed since the inception of the discipline, and thus project into chemistry's future. Analysis of organic chemistry using the tools of network theory enables the identification of most 'central' organic molecules, and for the prediction of which and how many molecules will be made in the future. Statistical analyses based on network connectivity are useful in optimizing parallel syntheses, in estimating chemical reactivity, and more.