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Architecture and Evolution of Organic Chemistry

机译:有机化学的结构与演化

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摘要

For almost two centuries,chemists all over the world have applied their expertise and creativity to the synthesis of new molecules.Since each individual chemist-or a collaborating group of chemists-tries to select unique synthetic targets and come up with a maximally original and/or efficient method of making them,it might appear that the activities of such independent "agents" should be largely uncorrelated,and that no generalizations about the evolution of chemistry en large could be made.As we show here,however,there exist several statistical laws that describe how molecules are made and interconverted.We analyze organic synthesis at the level of an abstract network representation whereby molecules correspond to nodes characterized by molecular masses,and reactions to directed edges connecting these nodes (Figure 1 a).We show,among others,that the connections between the nodes form a time-evolving scale free network of structure similar to that of the world wide web (WWW),and that masses of molecules in this network are governed by a single stochastic process.
机译:近两个世纪以来,全世界的化学家都将自己的专业知识和创造力应用于新分子的合成。自从每个化学家(或一组化学家)尝试选择独特的合成目标并提出最大的原创性和/或制造它们的有效方法,似乎这些独立的“试剂”的活性应该很大程度上不相关,并且无法对化学反应的整体进行概括。但是,正如我们在这里所显示的,存在几种统计方法描述分子如何形成和相互转化的定律。我们在抽象网络表示的层次上分析有机合成,其中分子对应于以分子质量为特征的节点,以及对连接这些节点的有向边的反应(图1 a)。其他的,节点之间的连接形成了一个类似于万维网(WWW)的结构的随时间变化的无标度网络,并且此网络中的分子资产由单个随机过程控制。

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