CDD Vault Update (September 2024 #2) - Release Notes

Create ELN Templates:

Templates are a great way to provide organization and uniformity to ELN entries, saving users time and ensuring data is easily digestible. Once an entry is ready to become a template, your Vault Administrator can publish it by clicking the template icon at the top of the page. Provide a name, decide which specific ELN fields should be included and whether to make them required or optional. Template-specific fields ensure you capture necessary details without overwhelming users with extraneous content. Customize your templates to match a wide range of experiment types.

When creating new ELN entries, users have the option to apply a template. The template automatically adds the title, field and body content to the newly created entry.

Improved ELN Molecule Registration:

This new feature allows users to choose whether to register a new molecule or a new batch from the stoichiometry table. Structures drawn may already be registered in a Vault: either the current Vault or a linked Vault. Users can now register a new molecule with a new parent identifier, instead of defaulting to creating a new batch. This feature is particularly useful for structures with ambiguous stereochemistry and tautomers. The screenshot below shows an example of a ‘virtual’ molecule registered in a separate Vault, and now that the structure is synthesized, it can be registered in the Vault where the ELN entry resides. 

*Note: The above features are only available in the pre-release version 2 of CDD Vault’s ELN. If you wish to enable the ELN pre-release, please contact your account manager or the CDD Support Team.

Unorganized Inventory Locations:

Samples registered in the Vault can now be assigned to locations not organized into boxes. Vault Administrators can create a location and add an “unorganized box”, giving users the ability to add a sample location without specifying a box position. 

For example, a sample is shipped to Collaborator A at another site, and the specific box location is unknown/not relevant. Or you are storing samples in a hood or on a shelf. Limit the number of samples stored in an unorganized box by setting the capacity.

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 registration, data visualization, inventory, and electronic lab notebook capabilities.