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    • Online interface from ChemDraw to ChemACX

    • Presenter: Jesse Gordon , Company: PerkinElmer Informatics
    • Duration: 1 min
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  • ChemDraw's Name<=>Struct displays structures for many trivial names. For trivial names that Name<=>Struct does not know, the "Online" feature looks up trivial names via ChemACX, and displays a chemical structure if the name is found. Chem3D and ChemBioFinder both have the same Online Menu.

    ChemDraw's library of trivial names, used by the name-to-structure converter, contains all common chemical roots, from allyl to xylyl, plus many commercial names, from aspirin to Zoloft. But commercial names are created constantly, so ChemDraw needs a database to keep up. That database is ChemACX, our Available Chemicals Exchange, a compendium of over 550 vendor catalogs containing almost 600 thousand compounds as 1.7 million products. ChemACX is updated quarterly, and ChemDraw accesses ChemACX via its "Online" menu. Chem3D and ChemBioFinder offer the same interface to ChemACX, via their own "Online" menus. Both programs also include Name<=>Struct functionality from within their ChemDraw panels.

    The Online menu also takes structures and displays the corresponding ACX ID's, the key code for ChemACX, and vice-versa. The menu also contains direct links to several of CambridgeSoft's websites, including:

    • ChemACX.com website for finding suppliers, prices, and quantities.
    • SciStore.com website for purchasing software and database subscriptions.
    • CambridgeSoft.com website for product descriptions and related videos and articles.
    • Documentation website for manuals and technical documents.
    • Technical support website for FAQs and technical notes.
    • Download website for software patches and customized templates.
    • ChemOffice SDK website for CambridgeSoft’s Software Developer's Kit.
    • In Chem3D, the online menu also includes lookup by PDB ID from the Brookhaven National Lab.

    Following are the steps for using the Online menu for a trivial name lookup where ChemDraw’s name-to-structure conversion does not recognize the name. The example molecule name is "resveratrol" — a plant-based nutritional supplement. ChemDraw’s name-to-structure conversion does recognize the systematic name 3,4',5-stilbenetriol, but not the trivial name.

    • On the Structure menu, select "Convert Name to Structure" and enter "resveratrol".
    • ChemDraw indicates that a structure could not be generated for that name (i.e., it is not recognized in the trivial-name dictionary for ChemDraw version 12).
    • On the Online menu, select "Find Structure from Name at ChemACX.com" and enter "resveratrol".
    • The structure for 3,4',5-stilbenetriol appears.
    • Note that whether created via the systematic name or via the ChemACX lookup, ChemDraw’s Structure-to-Name conversion will result in the same IUPAC name, (E)-5-(4-hydroxystyryl)benzene-1,3-diol
    • Note also that selecting the structure created by any method, and then selecting the Online menu "Find Suppliers on ChemACX.com", ends up on the same ChemACX page.

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