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Sample-level Inventory Search Interface

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Susana Tomasio
The new CDD Vault Inventory tab allows users to search, filter and browse through registered samples. If you would like this feature enabled in your Vault, please contact support@collaborativedrug.com.

Searching Samples

In the Inventory index page, you can search and/or filter samples by Keyword, Molecule-Batch-ID, Sample Name, or any other custom Sample/Inventory Field defined by the Vault Administrator.

 

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Searching Samples by Keyword

To perform a keyword or text search:

  1. Type or paste the desired words into the search window.
  2. Press the return key or click the search icon to the right of the window.

You can search by:

  • Sample Name
  • Sample ID
  • Molecule-Batch-ID
  • Any defined Sample Field

 

Searching by Chemical Structures

If you're looking for a sample with a specific chemical structure, you can search by its chemical structure. CDD Vault utilizes Ketcher as the structure editor to add structures through the interface.

To search samples by substructure:

  1. Click on the Filter by substructure search icon on the right side of the Inventory tab.
  2. This action opens Ketcher, where you can input a chemical structure for your search.

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You can enter structures into the query window by:

  • Drawing the structure directly using Ketcher’s drawing tools. (More information about Ketcher can be found here).
  • Dragging and dropping a structure file into the Ketcher window. All common structure file types are supported. You can see the list of allowable file types here.
  • Copying and pasting a text-based file like SMILES, InChi, Mol, or CDXML into the window.
  • Importing the structure using the open/import folder icon at the top of Ketcher. This allows browsing for a structure file or pasting a text structure into the query.
  • Retrieving the chemical structure by inserting the common chemical name, IUPAC name, CAS number or registration number, in the "Insert Structure Lookup Tool" box at the top of the Ketcher window.

After running a substructure search, the samples will be displayed below the search bar. CDD Vault will search for all samples that match the entered substructure.

 

Filtering Search Results

Filters can be applied to narrow the search results. From the Inventory search interface:

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  1. Click the Filter Samples icon.

  2. In the drop-down menu, you will find:

    • Sample and Event Fields as defined by the Vault Administrator.
    • Auto-generated default Sample Fields.

    • ProTip: These filters persist even if you log out of CDD Vault. To clear all filters, use the Reset Search Filters option.
  3. Filtering can be done either before or after a search. If you have too many results, you can also narrow down your search to a specific Project.

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From the Inventory Search interface, you can also customize the columns displayed in the search results:

  1. Click the Edit Columns icon.

  2. Check or uncheck the columns that you wish to display on the Inventory index page

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Exporting Samples

Vault Administrators can bulk export all Samples or filtered Samples by clicking the Export samples button at the top right of the Inventory tab.