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    • Converting Chemical Names to Structures with Name=Struct

    • Author: CambridgeSoft , Company: PerkinElmer Informatics
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  • Name=Struct is CambridgeSoft`s comprehensive algorithm for converting trivial and systematic chemical names into chemical structure diagrams. It is designed to be as practical as possible, interpreting chemical names as they are actually used by chemists. Name=Struct recognizes most of the official rules and recommendations of...

    • the International Union of Pure and Applied Chemistry (IUPAC),
    • the International Union of Biochemistry and Molecular Biology (IUBMB),
    • and the Chemical Abstracts Service (CAS)

    In addition, Name=Struct also recognizes the shorthand, slang and neologisms of everyday usage. It is extremely tolerant of deviations from the "official" rules in regard to spaces, parentheses, and punctuation. Both regular names ("chlorobenzene") and inverted names ("benzene, chloro-") are supported. In addition, it has an extensive algorithm for the identification of common "typos" (typing errors, such as "mehtyl") to increase the odds of generating structures for the names it is given.

    Name=Struct is available in two forms: a batch application, and an interactive version that is part of ChemDraw. Name=Struct functions are available in all Desktop Ultra and all Workgroup applications, including E-Lab Notebook and Inventory.

    Topics:

    • General Nomenclature Issues
    • Capabilities
    • IUPAC and CAS Names
    • Supported Procedures.
    • Accuracy
    • Speed
    • Limitations
    • Platform Limitations
    • Chemistry Limitations
    • Structural Limitations.
    • Nomenclature Limitations
    • Nomenclature Classes Handled by Name=Struct
    • Chains


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