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  • White Papers

    • Creating Chemical Queries in Chemdraw

    • Querying chemical databases is one of ChemDraw’s most powerful functionalities.
    • Author: Jon Harvey , Company: PerkinElmer Informatics
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  • For most of us, querying databases is part of our everyday routines. Using text we search the internet for things like recipes, used car listings, the best place to get a cat coiffed in Kokomo – pretty much anything really. We can do the same for searching chemical databases by entering a chemical name, formula or molecular weight, and get back results that match our search criteria. However, given the intricacies of chemical nomenclature, text searching is not always a practical method to get the results you’re looking for. Instead, drawing a query structure will more accurately return intended results.



    Though often overlooked, querying chemical databases is one of ChemDraw’s most powerful functionalities. To put this valuable utility more in focus we have published a Drawing Query Structures in ChemDraw white paper. This white paper details how to create ChemDraw query searches using special indicators to represent atom and bond types you want to find, and a variety of atom, bond and stereochemistry attributes you can apply to your searches. The paper also describes the search mode options available in chemical search engines such as ChemBioFinder, explaining how and when to use each of the search modes (substructure search, full structure search, similarity search, tautomeric search) depending on desired search results.



    We hope by reading this white paper, if you weren’t already, you become more aware of the strength and value of using ChemDraw as a database query tool.



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