Compose Macromolecules
Create singular macromolecule structures from text-based sequences:As you can see in the video below, it is straightforward to register a new molecule by composing a single macromolecule from a sequence. Choose the type of macromolecule to compose: linear peptide, cyclic peptide, nucleotide, or siRNA sequence. Paste in a sequence and watch the macromolecule composition in real time. For antibodies and ADCs use the “mixture” registration type. This workflow enables one-off registration and editing of macromolecules. Of course batch upload of multiple macromolecules works as usual using the standard import data functionality.
Inventory
Multi-select Inventory locations:
When filtering by inventory location in either the location tree or dropdown filters, simply use the checkboxes to select multiple locations at once. The inventory table will reflect the samples from the selected locations.
Search Inventory using a barcode scanner:
You can switch into barcode scanner mode using the barcode button next to the search bar. Simply use a handheld barcode scanner to input values or manually type in barcodes. The scanned values are added as a filter and the Inventory Table reflects the corresponding samples.
Create Inventory location barcodes:
Along with creating barcodes for samples, barcodes can be created for sample locations. Click the barcode button next to the location. Add optional metadata to the location barcode through the barcode creation form. Create barcodes for multiple locations using the multi-select checkboxes.
Visualization
Adjust the size of structures, images, and plots:
Use the settings gear icon in the top right corner of the Visualization table to open the Appearance tab. Use the radio buttons to adjust the size (small, medium, and large) of thumbnails displayed in the table. This includes structures, images, and plots.
Select all/none:
Use the ellipsis in the top left corner of the Visualization table to quickly select all/none of the rows in the table.
Highlight outliers in tables:
Similar to the CDD Vault search report table, outliers are displayed with strikethroughs and a light grey coloring. The outlier cells exclude background coloring when the data table is color coded.
ELN
Table of contents navigation:
Display a table of contents on the left side of the ELN page. As the page is scrolled, the table of contents scrolling mirrors the area of the page that is being viewed. If the table of contents is shorter it remains fixed at the top. Jump to a section in the ELN by clicking on a section header in the table of contents.
Triethylamine as an ELN solvent:
The solvent triethylamine has been added to the list of predefined solvents in a stoichiometry table. Use the “+Solvent” button to add a new solvent, choose from the dropdown menu, and hit return on the keyboard to add the solvent to the stoichiometry table.
API
New OpenAPI schema documentation:
A new website now contains all of the API documentation and an easier way to generate API libraries for major languages: docs.collaborativedrug.com. Users can easily download the full specification for use in LLMs and AI tools, Postman, an SDK/client generator, and your IDE.
Create and modify searches via API:
Modify existing saved searches or create new searches. You can directly create a saved search via the API using the same criteria that are available through the user interface. Accepted search parameters include projects, structure, keywords, collections, chemical properties, and protocols.
GET readout_row: ID parameter:
Pull readout rows via the API using their internal row IDs. Helpful for identifying specific rows to modify (flag outliers) or delete. Users can directly search for a single readout row or an array of readout row IDs.
To provide feedback on features, or if you have questions and want to schedule a demo, please contact support@collaborativedrug.com.