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    October 21, 2022

    CDD Vault Update (October 2022): Substructure Highlighting, Managing Projects for Teams, and a POST Query API Parameter

    Substructure Highlighting

    When performing a substructure search over your molecules in the Explore Data > Search tab, you enter a query structure into the Structure Editor. The molecules returned that match your query substructure are now highlighted in blue.  Instead of coloring the actual atoms and bonds that match, the space immediately surrounding the atoms & bonds is highlighted in blue. Making it easier to see. Noteworthy tip:
    • Just a quick note to say that we changed how structure images are rendered within CDD Vault. Any feedback you have is greatly appreciated.

    Insert Molecule Shows Structure Preview

    To ensure you select the correct Molecule when inserting into an ELN entry or into the Structure Editor, a preview of the chemical structure is now displayed.

    Manage Project Access Directly from Teams

    When creating a new Team or editing an existing Team in the Account management panel, the Vault Administrator is now able to manage Project access. Noteworthy tip:
    • Remember that a Team can be assigned to multiple Projects across Vaults. If any Team member is not a member of the new Project's Vault, a 4th section will appear, requiring the user's Vault role to be assigned.

    POST Query API

    Passing JSON content in a GET API call is becoming a non-standard way of building REST APIs. As an example, Microsoft doesn't allow sending JSON content with GET requests. To offer a solution to this limitation, the CDD Vault POST API call now includes a “query” parameter that, when used, will pass the JSON as desired to retrieve data from CDD Vault. As an example, if you wanted to retrieve Molecules that meet a certain set of parameters, the GET API call might resemble this: GET https://app.collaborativedrug.com/api/v1/vaults/<vault_id>/molecules Using JSON written like: { "created_after":"2022-01-01", "projects":"6547", "no_structures":true } If your infrastructure does not support passing JSON parameters with the GET API call, then you may now use a POST API call resembling this: POST https://app.collaborativedrug.com/api/v1/vaults/<vault_id>/molecules/query Using JSON written like: { "created_after":"2022-01-01", "projects":"6547", "no_structures":true } Noteworthy tips:
    • Note the “query” parameter is added to the end of the POST url. This allows the POST API call to retrieve data from CDD Vault instead of creating new data (which is the common function of a POST API call)
    • This “query” parameter is supported for all POST API calls in CDD Vault that have a corresponding GET API call. Examples include, but are not limited to:
      • GET Batches → POST Batches/query
      • GET Users → POST Users/query
      • GET Protocols → POST Protocols/query
      • GET Protocols/<protocol_id>/data → POST Protocols/<protocol_id>/data/query

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