OCR of Chemical Structure Diagrams

    Published: Jan 1994

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    Standards for the communication of chemical structure data in a computer-readable format have not emerged. While several standards have been proposed, the structure diagram continues to be the primary “standard.” Structure databases and computational chemistry programs cannot directly process the diagrammatic format. Kekulé has been created to provide a way for easily converting the defacto graphical standard into computer-readable formats.


    OCR, optical character recognition, chemical structures, Kekulé, neural networks

    Author Information:

    McDaniel, JR
    PSI INTERNATIONAL, Inc., Baltimore, MD

    Balmuth, JR
    PSI INTERNATIONAL, Inc., Baltimore, MD

    Committee/Subcommittee: E49.51

    DOI: 10.1520/STP13230S

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