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  • Name to Structure Conversion
    • Name to Structure Conversion

    • Presenter: Irwin C. Schreiman , Company: PerkinElmer Informatics
    • Duration: 45 min
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  • Name=Struct is CambridgeSoft`s comprehensive algorithm for converting English 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 the following organizations:

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

    This webinar will explore the six guiding principles for the development of the algorithm, feature of Name=Struct, and then demo several ways to access the capability within CambridgeSoft’s product line.

    The six guiding principles are:

    • Anything Allowed by the Rules Is Acceptable
    • Anything Forbidden by the Rules Is Acceptable
    • Any Rule Than Can Be Extended Should Be
    • If It Looks Like It Ought To Be A Rule, It Is a Rule
    • The Meaning of Logically Ambiguous Names Is Determined By Common Usage
    • Punctuation and Capitalization Do Not Matter; Spacing Matters as Little As Possible

    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, and additionally 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.

    For further information on Name to Structure Conversion , please try....



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