CDD Vault Update: Updates to Batch Keyword Searching, Exporting Data, Registering Structures from an ELN Reaction, and Retrieving Imported Runs via the API

Collaborative Drug Discovery (CDD) Vault Update Logo

In the novel, Anne of Green Gables, Canadian author L. M. Montgomery wrote, “It was November — the month of crimson sunsets, parting birds, deep, sad hymns of the sea, passionate wind-songs in the pines.” Had Montgomery been a CDD Vault user, we’re sure the quote would have included a thoughtful phrase highlighting the outstanding new features just released on the CDD Vault platform.

"1" list icon for CDD Vault ELN Blog Posts

API Bulk Import Operations Have A New Parameter To Retrieve Run IDs

When using the API to perform bulk imports, it is now possible to return the Protocol and Run IDs that were created as a result of this bulk import. The benefit of this is that now an API script can programmatically access Runs of imported data.

To review, the bulk import process resembles the following workflow:

Step 1:

POST https://app.collaborativedrug.com/api/v1/vaults/123/slurps

Sends an import file into CDD Vault through the API and returns a Slurp ID.

Step 2:

GET https://app.collaborativedrug.com/api/v1/vaults/123/slurps/< slurpid >

This API call returns the status of the import.

Step 3:

GET https://app.collaborativedrug.com/api/v1/vaults/123/protocols?slurp=slurpid

Returns JSON containing the normal GET Protocols response, but only the data for the Protocols/Runs that the slurp affected are returned.

Return the protocol and RUN IDs created from bulk imports
"2" list icon for CDD Vault ELN Blog Posts

Export to XLSX

CDD Vault can now export data in the XLSX file format. This Excel format supports more rows and is XML-based.

Option to export in xlsx format
"3" list icon for CDD Vault ELN Blog Posts

Multiple Keyword Searching

Users have been using the “Add a term” button to add additional search terms for Protocols and Collections. This functionality is now also available for your Keyword queries.

"4" list icon for CDD Vault ELN Blog Posts

Batch-Specific Search Results

You’ve heard the rumors and now the facts… CDD has implemented Batch-Specific Search Results. This represents a change where users’ queries that include a search over a Batch user-defined field will return only the relevant Batch(es) matching the search term.

For example: currently, if users search for Vendor = “Vendor1” and only Batch 2 of Molecule ABC-123 is from Vendor1, then only the matching Batch 2 of Molecule ABC-123 will be returned.

As with most things in life, there are a couple of rules that will help you understand your search results:

  • If you select a Batch field in the Keyword drop-down, CDD Vault will only show batches that match your keyword search
  • If you select “Any field” or a Molecule field in the Keyword drop-down, CDD Vault will show all batches associated with the molecules that match your keyword search
"5" list icon for CDD Vault ELN Blog Posts

Increased Limits on Keyword Queries

The amount of text users can use in a Keyword search has been increased. There are now 2 types of limits.

First, there is a limit on the number of Terms allowed. The Term limit is ~20,000 Terms, which are roughly defined as a word, string, or line within the Keyword search box.

The second limit is a character limit of ~65,000 characters.

"6" list icon for CDD Vault ELN Blog Posts

Protocol Index Searches are Sorted by Relevance

When searching within the Explore Data > Protocols tab (sometimes referred to as the Protocol Index Page), the results are presented to the user in an order of their relevance to the query.

As an example, a search term of “IC50” will return Protocols that have “IC50” in their name ranked higher in the list of returned Protocols, then Protocols that contain “IC50” in their Description will be returned later in the list.

Protocol Index Page results sorted by query relevance-New feature on CDD Vault ELN

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.

Translated with Google Translate