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CDD Vault Snack #1 – Look-Up Functions Within the Marvin Structure Editor

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Hello, CDD Vault users. WELCOME to our 6th edition of the Vault Snack! We hope you continue to enjoy these facts, tips, and tricks as much as the CDD Support Team enjoys sending these out.

May 20, 2019

Look-Up Functions Within the Marvin Structure Editor

We know users look up structures (from within and outside their Vault) and use those chemical structures as the basis of additional queries across their data.

Did you know that our Marvin Structure Editor will look up these structures for you and insert them into the structure editor?  

  • "Launch the Structure Editor" from the Explore Data > Search menu
  • Click on the blue "Insert structure" tool in the top menu bar  

Type in a Molecule ID, Synonym, Common Name, or CAS Number

Look up structures & insert them directly in the Marvin Structure Editor
Look up structures & insert them directly in the Marvin Structure Editor

Marvin will retrieve the structure of that chemical object right into the structure editor. (Yes, your eyes are not mistaken – you can type in a CAS Number and Marvin will retrieve the structure!)

Use Marvin to retrieve and display chemical structures
Use Marvin to retrieve and display chemical structures

You guessed it… there’s a special CDD Vault ELN bonus included with this look-up feature! The “Insert Compound or Reaction” button (found in the header of your ELN entries) will also look up these same Molecule IDs, Synonyms, Common Names, or CAS Numbers and insert these objects’ structures directly into your ELN entry.

Note: You might attempt to look up external items that cannot be rendered at this time. But rest assured, the repository of Common Names and CAS Numbers available for look-up will be expanded over time.

Be sure to contact CDD Support — we are always available to help YOU be more successful with CDD Vault!

Until next time!

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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WE'RE ALWAYS HERE TO HELP!

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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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