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CDD Vault Update (September 2019 [#2]): Filter ELN Entries by Date and Custom Fields, and a Revised Reaction Component Nomenclature within Stoichiometry Tables

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British author, George Eliot, wrote that “Great things are not done by impulse, but by a series of small things brought together.” This CDD Vault ELN release brings together a few new features that provide great benefit to users!

"1" list icon for CDD Vault ELN Blog Posts Filtering ELN Entries via Customer-Defined ELN Fields

CDD Vault ELN users may now filter their ELN entries from the main ELN tab using any combination of the default ELN elements (ID, Author, Title, Status, and Witness), dates (created, modified, submitted, finalized) and the customer-defined ELN fields.

Filter ELN entries by user defined ELN fields
Now filter ELN entries using your own custom-defined ELN fields

Data Type-specific filtering is also available.  For example, for ELN Fields that are created as Date fields, the filtering dialog provides a calendar widget so users can interactively select dates to filter over a specific date range. Filtering Pick List type ELN fields will present the user with a drop-down list of available values for filtering.

  Noteworthy tips:

  • Filtering by date modified will filter over any modifications made in the ELN entry (not just the most recent modified date)

"2" list icon for CDD Vault ELN Blog Posts Names of Reaction Components are Unified within ELN Stoichiometry Tables

The order of the Name column within a reaction stoichiometry table is now unified across the various types of components (reactants, reagents, and products).  For any reaction component, the Name will now appear as:

  1. Name – editable name chosen by the user
  2. Molecule – Molecule ID from CDD Vault (if registered)
  3. IUPAC – IUPAC Name
  4. CAS-RN – CAS Number
Image of CDD ELN screen showing reaction component names unified wihtin ELN s component names are now unified within ELN Stoichiometry Tables
Reaction component names are now unified within ELN Stoichiometry Tables

  Noteworthy tips:

  • Filtering by date modified will filter over any modifications made in the ELN entry (not just the most recent modified date)
  • If a component does not exist in the user’s CDD Vault, the Register button now appears on the 2nd (Molecule) line while in edit mode.
  • By default, for components that exist in CDD Vault, the Name shown on line 1 will default to the term used to search for the component.  Of course, the user can customize the text shown on line 1 to display whatever text is desired.
  • If a user wishes to change the Batch associated with a reaction component, s/he can click on the Molecule line and either choose from the existing Batches or click the Register button to register a new Batch of the Molecule into 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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