Solvent Workflow within the CDD Vault ELN Reaction Stoichiometry Table
Solvents are now handled explicitly within the CDD Vault ELN stoichiometry table with the addition of a new “add solvent” feature. When editing a stoichiometry table, there is a new option to “add solvent”. To start, click “add solvent” and a new Solvent row is added to the stoichiometry table. Users should click the “required” link next to Solvent, type a solvent name to filter or expand the drop-down, and select one of the predefined solvents. Once selected, the following properties will be automatically populated:- Density
- Boiling point
- CAS number
- Molecular weight
- Formula weight
ELN Endpoints for Creating and Populating ELN Entries
The API can now be used to create new CDD Vault ELN entries, populate the ELN fields for the new entry, and attach files to existing ELN entries. There is a newPOST ELN Entries
API call that will create a new ELN entry within the CDD Vault ELN.
POST /api/v1/vaults/<vault_id>/eln/entriesTo use this POST ELN Entries call, you must submit JSON to indicate the Title of the entry, the Project where the entry will be created, and any values for the ELN data fields that are to be populated.
{
"title":”New ELN Entry”,
"project": "Internal Data",
"eln_fields”: {
“Institute”:”Graceland Labs”,
“PI”:”Elvis Presley”,
“Submission Date”,”2021/07/15”}
}
Once an ELN Entry exists, the POST Files
API call can be used to add file attachments to the existing ELN entry. A new resource_class=eln
parameter was added to allow the posting of files into an ELN Entry. This example curl command demonstrates the use of the POST Files API call to attach a file to an ELN entry: curl -H "X-CDD-Token:$TOKEN" -X POST --form "file=@C:\files\" --form "resource_class=eln_entry" --form "resource_id=" "https://app.collaborativedrug.com/api/v1/vaults//files"
The above curl command would return this result: {
"id": "1473698520"
"name": ""
}
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