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The Potential of a Chemical Graph Transformation System

机译:化学图转换系统的潜力

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摘要

Chemical reactions can be represented as graph transformations. Fundamental concepts that relate organic chemistry to graph rewriting, and an introduction to the SMILES chemical graph specification language are presented. The utility of both deduction and unordered finite rewriting over chemical graphs and chemical graph transformations, is suggested. The authors hope that this paper will provide inspiration for researchers involved in graph transformation who might be interested in chemoinformatic applications.
机译:化学反应可以表示为图转换。介绍了将有机化学与图形重写相关的基本概念,并介绍了SMILES化学图形规范语言。建议对化学图和化学图转换进行演绎和无序有限重写。作者希望本文将为可能对化学信息学应用感兴趣的图转换研究人员提供启发。

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