Medicinal chemists rely on patent intelligence at three distinct junctures of a research project: inception of an idea, ongoing competitive intelligence during project development, and preparation of the patent application. Knowledge of the competitive landscape provides medicinal chemists with insight into competitor's strategies for improving potency and decreasing ADME liabilities. While comprehensive databases of chemical structures obtained from patents are available, medicinal chemists generally focus their analysis on a few patents at a time. In addition to identifying �key� compounds within a competitor's patent, medicinal chemists are interested in obtaining bioassay results, synthetic route, yield and analytical characterization related to these compounds.  Medicinal chemists spend considerable effort locating chemical structures within a patent, and tools to facilitate compound annotation and traceability are highly desired. Structure Clipper is an interactive tool that combines image processing, image-to-structure (OSRA) conversion, optical character recognition (OCR), chemical name annotation, spelling correction, and chemical name-to-structure conversion to automatically identify and extract chemical structures from electronic documents, such as patents and journal articles. Chemical structures generated by Structure Clipper are tagged with the page number and rectangular coordinates on the page on which the original chemical text or image is located. In addition, chemical structures are assigned the identifier (e.g., example number, synthetic step, intermediate, etc.) described in the source document. Structure Clipper provides a direct link between chemical structures and their origin within the source document. Extracted structures may be manually annotated with related information, such as bioassay results, synthetic yield, and spectroscopic characterization. Lastly, Structure Clipper provides an interface for semi-automated enumeration of structures from Markush tables spanning multiple pages in the source document.

Structure Clipper: An interactive tool for extracting chemical structures from patents

248th National Meeting (2014)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.