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CDD Vault Update: A Smarter Mapper

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March 30, 2011

When importing data, why should you have to tell CDD that your column named “SMILES” contains molecule structures? Shouldn’t CDD be able to figure that out?


We now automatically select our best guess for how each header should be mapped, so you only need to click “Apply”. You can always override or ignore the best guess, and our algorithm learns over time how you map your files. We’re happy to provide additional details on how the algorithm works, and let us know if you encounter header names that you think CDD should be able to guess, but doesn’t.

This blog is authored by members of the CDD Vault community. CDD Vault is a hosted drug discovery informatics platform that securely manages both private and external biological and chemical data. It provides core functionality including chemical registrationstructure activity relationshipchemical inventory, and electronic lab notebook capabilities.

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Know that CDD Support is here to help you reference CDD Vault in your talks, posters, or other presentations. Contact us if you want assistance with:

  1. Documenting algorithms used within CDD Vault;
  2. Creating screen shots;
  3. Proofreading slides; or
  4. Any other tasks.

Whatever you need, we're always ready to help!

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