CDD Vault Update (January 2021): New ELN and Entity Registration Features

CDD Vault Update Logo
January 19, 2021

Register Entities Using Unique IDs

Molecule/Entity fields that have the “must be unique” flag set may only contain values that are unique across all records within your CDD Vault. These unique values can now be used as structure/entity identifiers and as such, users can register Molecules and Batches using these unique Molecule-level fields.

For example, register and track your peptide Entities in CDD Vault. Peptide sequences can be stored within a unique Molecule/Entity field and used during Import to identify when:

  • A unique peptide is being registered
  • An additional Batch of an existing peptide is being registered

 

click insert new entity button

type in value for unique entity level field

new entity automatically associated with ELN entry

Noteworthy Tips

  1. To register sequences and other types of entities using values populated in a Molecule Field, the “must be unique” flag has to be set for the specific Molecule Field.
  2. A “must be unique” molecule field is treated as the primary “structure” and therefore you cannot map to structure and a “must be unique” molecule field in a single import.
  3. Synonyms and other identifiers used for lookup should be stored as a Synonym.
  4. To populate Structure and an “unique molecule field” you must import the data separately and use the molecule name or a synonym to identify the record.

Register Entities without Chemical Structures from an ELN Entry

A new button in the ELN toolbar allows users to register new structureless entities into CDD Vault. A registration ID is assigned and the default no-structure image is displayed with the Molecule-Batch ID underneath.

Register Entities without Chemical Structures

A link to the ELN entry is automatically added to the registered batch so you can easily identify the source of a new Batch when it was registered from an ELN Entry.

Noteworthy Tips

  1. To register a subsequent batch of an existing entity, use the insert link tool, search for the ID, select the default image and save. Then hover over the preview and click the “Register” link.

Link Specific Batches to an ELN Entry

Use the insert link tool to lookup specific batches of a molecule. When searching for a molecule, you now have the option to link a specific batch. Once a batch is linked, the ELN entry is associated with the record. This is particularly useful for assay results which are exclusively stored in the ELN. Take advantage of the flexibility and unstructured nature of the ELN and create the necessary association to the batch that was tested.

Link Specific Batches to an ELN Entry

Display ELN Links in Search Results Table

ELN links which are associated with Molecules/Entities, Batches, or Runs of a Protocol can be displayed in the search results table. Choose “Customize your report” after running a search and find the ELN Links checkbox within the Molecule/Entity Fields, Batch Fields and available Protocol sections.

Display ELN Links in Search Results Table

Update to GET Users API Endpoint

The GET Users API call now returns each user’s Vault role and an array of project memberships. Pass the include_projects=true parameter with the GET Users call to return project membership and project level permissions.

curl -H "X-CDD-Token: $TOKEN" 
https://app.collaborativedrug.com/api/v1/vaults//users

Returns:

    [
        {
            "id": 22,
            "first_name": "Charlie",
            "last_name": "Weatherall",
            "role_name": "vault admin"
        }
    ]

curl -H "X-CDD-Token: $TOKEN" 
https://app.collaborativedrug.com/api/v1/vaults//users?include_projects=true

Returns:

    [
        {
            "id": 22,
            "first_name": "Charlie",
            "last_name": "Weatherall",
            "role_name": "vault admin",
            "projects": [
                {
                    "name": "Herbicides",
                    "id": 55,
                    "can_manage_project": true,
                    "can_edit_data": true,
                    "hidden": false
                }
            ]
        }
    ]