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    November 17, 2021

    CDD Vault Update (November 2021[#2]): New Search Parameter for Protocol Run Dates, Linked ELN Entries are Included in the GET Runs API Call, and an Update to the Lipinski Rule of 5 Calculation

    Albert Camus, French philosopher, author, journalist and Nobel Prize winner, wrote that “Autumn is a second spring when every leaf is a flower.” It is in this spirit that we offer you these new CDD Vault features as a wonderful bouquet of November flowers!

    View Recent Protocol Data

    When searching for a specific Protocol in the Explore Data > Search tab, you now have a new option to return the most recent run data. search recent protocol data This option allows you to specify a query for Run Dates within the past 7 or 30 days. Once you’ve selected a Protocol name, click the “(any run)” drop-down menu, select the new “with runs in the past” option, and then select either 7-days or 30-days. drop down menu for runs in the past Noteworthy tips:
    • This query searches across the Run Date populated by the user.
    • Use this query option in saved searches to build time based reports.

    GET Runs API Call Now Returns Linked ELN Entries

    When importing a file with Protocol data from an ELN entry, CDD Vault automatically links the ELN Entry to the Run(s). This ELN Entry link is available in the CDD Vault interface in both the Search Results Table and the Run Details tab. link to ELN entry in search results table link to ELN entry in run details tab The GET Runs API call now includes these ELN Entry references. Here’s an example of the “eln_entries” section of the JSON returned by the GET Runs API call:
        },
        "eln_entries": [
            {
                "id": 248390,
                "name": "Entry: 248390 - Generation of CRISPR NUAK2 KO A549 Cell Lines",
                "status": "open",
                "author": {
                    "id": 22399,
                    "first_name": "Samantha",
                    "last_name": "Jeschonek"
                },
                "url": "https://app.collaborativedrug.com/vaults/6033/eln/entries/248390"
            },
    

    Hydrogen-Bond Donor Sites

    When calculating H-bond donors and the Lipinski Rule of 5 property, CDD Vault now correctly uses the number of hydrogen bonds to donor atoms instead of the number of donor atoms with bonds to hydrogen (for most compounds these are the same).

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