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Vault Snack #5: The Anti-Collection???

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Vault Snack [noun; ˈvȯlt snakˈ] A fact, tip, or trick offered by the CDD Support Team to aid in your successful use of CDD Vault for managing, analyzing, and presenting chemical structures, biological assays, and ELN data.

October 18, 2019

Hello, CDD Vault users! If this is your first Vault Snack, then WELCOME! We hope you enjoy these facts, tips, and tricks that the CDD Support Team sends out to aid you in the successful use of CDD Vault for managing, analyzing, and presenting chemical structures, biological assay, and ELN data.

Using CDD Vault Collections

It's always a treat when our team meets users face-to-face and learns about how they use the Vault. Recently, one of our customers stopped by CDD’s booth at a conference in Boston and inquired about  the best way to exclude a set of molecules from a query. This turned out to be a spot-on use-case for CDD Vault Collections.

We tend to think of Collections as groups of molecules that are somehow interesting. However, that is not always the case. Collections can just as easily be created to contain a set of molecules that are not interesting, for whatever reason. Then, when performing queries, users can exclude these molecules by using the Not In --> Collection query parameter.

CDD Vault Screenshot: Search collections with "undesirable" parameter selected
Select the "Not in" parameter to filter out molecules in your "Undesirable" category when searching your collection in CDD Vault

Export Protocol readout data directly from the Protocol or Run Detail pages

Also, remember that your Collections are static groups of Molecules — but, you are able to update existing Collections from the Search Results Table.

As always, THANK YOU to all our customers who email or come by to see us at conferences. The CDD Team loves your feedback and is always excited to hear your thoughts!

If this Vault Snack leaves you hungry for more, all previous Vault Snacks can be found here and don’t forget to email us your ideas on topics for future Vault Snacks — tips that you have found useful and worthy of sharing with the CDD Vault community!

As always, be sure to contact CDD Support — we are available to help you be more successful with CDD Vault!

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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