Markush structures (or generic structures) are widely used in chemical patents and combinatorial chemistry to define large chemical spaces. ChemAxon provides powerful Markush structure drawing, Markush search, overlap analysis and visualization functionalities. These Markush functionalities are widely available in our products, including Marvin, JChem Base, JChem Cartridge and Instant JChem.In this presentation, the latest development of the new Patent Curation Tool will be introduced. The curation tool provides an intuitive interface to the user to read patents and curate the Markush structures side-by-side. It features ChemAxon's chemistry text mining functionality to extract R-group definitions from patent documents, and allows easy importing of these R-group fragments in bulk. The tool takes full consideration of various Markush complexities (e.g. nested R-groups, multiple R-group attachment points). Once the Markush structure is curated , the user may also enumerate the Markush structure. ChemAxon also provides powerful search capability allowing structure search in the Markush chemical space. The latest improvement also allows overlap analysis between two Markush structures, and hit result analysis. Both features will be demonstrated in this presentation as well.

Computer-assisted Markush structures curation from patent documents

248th National Meeting (2014)

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