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    • Chemical databases in ChemFinder: List updates (price and structure)

    • Presenter: Jesse Gordon , Company: PerkinElmer Informatics
    • Duration: 6 Min
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  • When updating an existing chemical catalog which is stored in ChemBioFinder, users usually have some data in chemical format (SDFile) and some data in Excel spreadsheets. This video demonstrates how to merge in chemical structure changes and price changes, using Alfa Aesar’s chemical catalog. Our steps include:

    1. Price list updates are listed in an Excel spreadsheet (exported as TXT).
    2. Merge into ChemBioFinder to implement all price changes specified in Excel.
    3. Observing any errors (unmatched prices or structures).
    4. Structure updates are listed in an Excel spreadsheet (exported as SDF).
    5. Merge into ChemBioFinder to implement all structure changes specified in Excel.
    6. Observing “tabs” in ChemBioFinder for each new data source.

    This catalog keeps pricing information in an Excel spreadsheet, but the same method would apply for any data in an Excel spreadsheet. In other settings, the Excel data might be empirical data about each substance; or assay data in multiple dimensions.


    This Feature Clip is part 4 of a series. Please see the other features of the series:



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      • Price update data: Price update data in Excel

      • Structure update data: Structure update data in Excel

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