CDD Vault Update (September 2021): Batch Links as Protocol Readouts, Size Binning within Visualization, and Adding CDXML Files to ELN via API
September 25, 2021
William James, American philosopher, historian, and psychologist, wrote that a chain is no stronger than its weakest link. Continuing on our quest to strengthen all links within CDD Vault, we are happy to announce Batch Links are now available as Protocol Readouts!
When looking for small molecule-protein interactions, are you keeping track of the specific proteins and cell lines used… even if they are registered in separate Vaults?
Or when testing ADCs, would you like to track which antibody-linker-warhead was used… even if each component is registered in a separate Antibody and Payload Vault?
Well, now, there is a feature that lets you accomplish just that, the new “Batch Link” Readout definition data type. In addition to the existing Number, Text, Pick List, File data types, you may now define a “Batch Link” Readout definition in your Protocol definition.
Protocol readout data can include links to a number of entities stored in the same CDD Vault or across separate CDD Vaults (if the Link Across Vaults feature is enabled for your CDD Account).
Once the data is entered manually or imported, live links are shown in your search results table. Click the link to view the specific batch details of that entity, or open the links in new tabs for quick reference as you further explore your data.
Extending the current color options, you can now bin values when assigning a parameter to size in the scatter plot settings menu.
By default, three bins of equal length are created and assigned small, medium and large sizes. Keep in mind, you may:
- adjust each interval by clicking and dragging a separator, or by clicking a separator and entering a specific value
- click the size-indicator square to update which size is assigned to the interval, or to delete the interval
This falls into the “have you thought about this neat feature” category… Of course, you can use the
POST Files API call to attach files programmatically into an ELN Entry → but have you considered POSTing ChemDraw (cdxml) files? These files are recognized and rendered within the CDD Vault ELN as chemical structures/reactions and as such, are also searchable via the ELN chemistry search engine!