FAQs
For questions not addressed by a support solution here, please Contact Us. Please do include a description of the problem as well as your operating system and version.
What can we help you with?
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How does the formula search work in WebCSD?
… In WebCSD you can search for an entry in the Cambridge Structural Database (CSD) by its molecular formula by entering search criteria in the Molecular Formula …
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Can I filter search results?
… Search results can be filtered to exclude solvents, elements above a certain weight, organic/organometallic compounds and structures with low experimental …
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How can I download data for a particular compound?
… If you have a license for the Cambridge Structural Database Core (CSD Core) then you may use our search functionality provided in ConQuest or WebCSD to locate …
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What should I sketch for a similarity search?
… The similarity search is based on a comparison of molecular fingerprints, so it is important to sketch a full molecule rather than a substructure …
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Can I search my own private in-house database using ConQuest?
… Yes, ConQuest can be used to search in-house databases in addition to the main CSD. Private databases can be created using the My Structures service …
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What are the strengths/weaknesses of similarity searching in WebCSD?
… With all fingerprint-based methods of similarity searching there are certain strengths and weaknesses inherent in the fingerprint definitions …
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How does author name searching work?
… To search on author name, select the 'Author Name' query type and enter the required surname in the text/numeric 'Query' box. Optionally authors' initials may …
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How does the substructure search work in the CSD web interface (SMARTS)?
… The substructure search in the CSD web interface uses the sketcher to create a query in SMARTS format that is then used to search the CSD. This SMARTS format …
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Why have I found surprising results when structure searching in WebCSD?
… The sketcher used to allow structure searching within WebCSD communicates with our CSD search engine via a SMARTS substructure representation. Occasionally …
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Why is my structure search query not highlighted in the 2D diagram sometimes?
… The highlighting of the structure search query relies on the matching of the 3D coordinates with the 2D chemical diagram. If the entry in question either does …
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