Compounds & Batches in projects

This will show you how to add compounds and batches to the project overviews as well as how to change their status, sort order individually or in bulk

Compounds and Batches

Compounds are at the core of Projects on the grit42 platform. Each row in the grid represents a compound, and if specified, a Batch of this Compound. 

Each row contains values linked to a Compound and all of its batches, or a Compound/Batch pair.

If no Batch is specified, and there are results specific to one or more Batch of this Compound, the results will be aggregated according to the aggregation method of the Project Setup Parameter. Conversely, if a Batch is specified, but the Setup does not have a Result Parameter of type “CompoundBatch” and of Experimental Role “Independent Variable”, all the results for the Compound will be shown, aggregated according to the selected aggregation method.

Compound Statuses

Compound Statuses serve an organisational purpose.

The following Compound Statuses are available by default:

• Ongoing
• Lead Candidate
• Rejected

Note (Admin): Additional Compound Statuses can be created under the “Data Import” > “ProjectCompoundStatus”, as described on the "Import data into the lookup tables" page.

Adding compounds

From the Project grid

1. Go to the project’s “Data” tab
2. In the top right corner click the “pencil” Edit Project button and select the “Compounds” item

1. Select the Compound/Batch pairs to add in the list on the left
   1. Hint: The list can be filtered to show only Compounds or only Batches
2. In the dialog, configure the Compounds to be added and click “Create Project Compounds”
   1. Status: the status of the Compound/Batch pair(s)
   2. Sort: optional, configures the position this Compound should have in the grid 
3. Click the “✓” “Done” button in the top right corner to return to the Project grid

A Compound or Compound/Batch pair can be modified by opening the Compounds configuration and selecting it in the list on the right.

From the Compound Uploader

1. Register Compounds as described in Compound Registration
2. After successfully registering the Compounds, click “Add compounds to project”
3. Select a Project, configure the Project Compounds as described above in From the Project grid and click “Create Project Compounds”
   1. The Project list is limited to Projects that do not include any of the registered Compounds and that are not of type “Private Analysis”
   2. Selecting the “New Project” option will reveal new form fields where the new Project can be configured as described in Creating a new project

From the Compound grid

1. Select the Compounds to add to a Project
2. In the top right corner, click the “+” “Add Compounds to…” and select “Project”
3. Select a Project, configure Project Compounds as described above in From the Project grid and click “Create Project Compounds”
   1. The Project list is limited to Projects that do not include any of the selected Compounds 
   2. Selecting the “New Project” option will reveal new form fields where the new Project can be configured as described in Creating a new project

Updating compounds

A Project Compound can be updated by clicking on a Compound Property cell of the row of the Compound. Doing this will open a dialog where the status, sort order, name and description can be modified.

Bulk update

Selecting one or more Compounds in the grid enables the “Update Project Compounds” button above the grid. Clicking this button opens a dialog where the status and sort order of the selected compounds can be updated for all the selected Compounds at once. 

Compound order

The order in which the rows of the Project grid are displayed by default can be controlled using the Sort property of the Project Compounds. The rows of the grid will be sorted according to the value of their Sort property in ascending order by default. 

Users can override the sort order by clicking on the header of a column, as described in Sorting.