Abstract Markush structures play an important role in cheminformatics, especially in chemical patents. This paper presents a novel algorithm for automatically generating Markush structures from series of specific compounds. This method can effectively be used to assist patent drafting or to compose combinatorial libraries based on several molecules of interest. According to the authors’ knowledge, the presented algorithm is the first solution to this problem. It is available in multiple software products of ChemAxon.

中文翻译：

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从特定化合物自动生成马库什结构

摘要 马库什结构在化学信息学，尤其是化学专利中占有重要地位。本文提出了一种从一系列特定化合物自动生成马库什结构的新算法。这种方法可以有效地用于协助专利起草或基于几个感兴趣的分子组成组合库。根据作者的知识，所提出的算法是这个问题的第一个解决方案。它在 ChemAxon 的多个软件产品中可用。