Markush structure, also known as Markush structure, is composed of a new parent group and variable substituents. Because of the complexity of variable substituents, the retrieval and matching of Markush structure has become a difficult problem in chemoinformatics.
Introduction to Markush structure:
Markush structure plays an important role in chemoinformatics, especially in chemical patents. Markush structure is named after Eugene A Markush, and Eugene A Markush was granted the patent of pyrazolone dye by the US Patent Office (now the US Patent and Trademark Office) on 1924.
In this patent, he claimed to have a universal chemical structure, which set a precedent and this technology became a common practice. Markush structure is a general chemical description used to specify a group of related compounds. They are widely used in chemical patents and other chemistry textbooks, as well as describing large combinatorial libraries.
In a single information disclosure, the typical Markush patent structure represents a large number or even an infinite number of substances. The invariant part of the structure is called scaffold, which embodies the isomorphic characteristics of specific molecules.
Refer to the above content: Baidu Encyclopedia-chemoinformatics Tutorial