December 13, 2024
Hello, CDD Vault users!
As we race towards the end of a great 2024, CDD Support thought we’d send out a few extra Vault Snacks. This one will focus on the use of Saved Searches to fully automate your small molecule screening funnel lead selection.
In CDD Vault, Saved Searches represent a dynamic group of molecules (or entities). This means that when a new molecule, and corresponding biological data, is registered to your Vault, the saved search results will be updated based on the query parameters- if more data has been added since you saved the search, the new results are automatically included.
Consider the below (truncated for brevity) example screening funnel for the selection of an initial lead compound in a CNS small molecule discovery program:
First, create a search query on the Explore Data tab and string together the relevant Protocols, readout definitions, and hit criteria, using “and” operators. (Note that when using “and” operators, the returned list of compounds must have been run in every Protocol listed.) Use the “add a term” function to string together as many parameters as your screening funnel requires. Be sure to include criteria in the calculated properties section such as CNS MPO score from the above example and any other metadata you may want to capture at the Batch level
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Once you have executed the query, use the “Save this search” function at the top of the report table. You may now name this search (e.g., GABA-A PAM lead molecules) and save it to the appropriate Project and share it with the rest of the collaborators in your Vault.
Saved search results can be retrieved from the “Saved Searches” tab on the explore data page.
Great news! Your screening funnel analytics have now been automated to group together molecules that satisfy all criteria in your screening funnel. As you continue to populate Molecules and Protocol data into this project, your Saved Search will automatically update to include any new Molecules that satisfy the search parameters. Instead of manually updating a lead compound list, or manually combing through individual Protocol data, your lead Molecules are continually identified with the click of a button.
CDD Support is always happy to schedule a working session to review these, or any other features in CDD Vault. Please contact support@collaborativedrug.com with any questions you may have or to schedule a tour.
If this Vault Snack leaves you hungry for more, all previous Vault Snacks can be found here and as always, feel free to contact CDD Support — we are available to help you succeed in using CDD Vault.
PS - Did you try the new Support AI ChatBot yet? You can find it in the upper right corner of CDD Vault, after logging in, next to the "Help" button. Give it a try and let us know your feedback!