CDD Vault Update (March 2024)

Redesigned Dose Response Viewer

When clicking on a dose response curve from within CDD Vault, a redesigned plot now opens in a new browser tab. In addition to a new look and feel, users may also change the color of any curve displayed within this new window.

Notes:

• The curve color set by a user only applies to the current session and any exports. It is not saved.
• If multiple curves are displayed (for example, a tested Molecule and a reference Molecule), use the arrow buttons to switch between curves and view associated data.
• The Edit Outliers and Override button is located on the bottom right of the plot window.

New GET Status (Background Processes) API Call

A GET Status API call is available to see the current state of a CDD Vault. Information on processes like calculations, imports/slurps, on-going exports, etc are provided with this new endpoint. Additionally, news on the overall CDD Vault server status, along with planned windows of downtime, is provided. For security purposes, this API command is only available to Vault Administrators.

The syntax of this new API call is:

GET https://app.collaborativedrug.com/api/v1/vaults/<vault_id>/status

The JSON returned now includes a section with:

{
    "max_executing_account_slurps": 3,
    "num_executing_account_slurps": 0,
    "any_locking_chemistry_slurps": false,
    "any_executing_batch_move_job": false,
    "slurps": [],
    "recalculating_protocols": [],
    "application_status": {
        "processors_available": true,
        "calculators_available": true
    }
}

When an import (slurp) is active, the "slurps" section of the JSON resembles:

{
    "max_executing_account_slurps": 3,
    "num_executing_account_slurps": 1,
    .
    .
    .
    "slurps": [
        {
            "id": 2051087,
            "state": "processing",
            "chemistry_locking": false,
            "modified_at": "2024-03-13T13:09:49.000Z",
            "owner": {
                "id": 6021,
                "first_name": "Charlie",
                "last_name": "Weatherall",
                "email": "charlie@collaborativedrug.com"
            },
            "project": {
                "id": 3483,
                "name": "CQ Test"
            }
        }
    ]

Note: the available slurps "state" reported in the above JSON includes:

• processing
• processed
• committing

 When calculations are running in the Vault, the JSON will include:

"recalculating_protocols": [
        {
            "name": "My Inhibition Screen",
            "id": 17477,
            "projects": [
                {
                    "id": 3546,
                    "name": "CW Test"
                },
                {
                    "id": 3483,
                    "name": "CQ Test"
                }
            ]
        }
    ],

Finally, when the number of slurps exceeds the max_executing_account_slurps, the JSON returned will include queued_job_position and queued_slurp_position details.

Click here for the Knowledgebase article documenting this new API endpoint.

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 registration, data visualization, inventory, and electronic lab notebook capabilities.