Reviewing chemical patents is essential for drug discovery project decision making, but can be time-consuming and tedious.  A cheminformatics application, called MarVis (Markush Visualization), has been developed for patent Markush structure visualization and analysis. MarVis can show a graphical table of all possible R-groups described in a patent. If a query substructure matches an R-group, MarVis will expand the Markush structure displaying the query substructure. There is also a unique interactive interface that allows chemists to explore Markush structures and zoom in the chemical space of a patent to find a subset of interest. It is especially helpful in cases where the patent Markush structure is very complex with heavily nested R groups. MarVis can significantly reduce time for manual step of patent analysis from days to minutes.  The graphical R-group table also facilitates a more efficient subsequent patent analysis.   (A manuscript of this work has been accepted by Journal of Chemical Information and Modeling, and published online http://pubs.acs.org/doi/full/10.1021/ci100261u)

MarVis: An intuitive patent Markush structure visualization tool for medicinal chemists

242nd National Meeting (2011)

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