We are excited to announce a new round of features associated with our Curves add-on. If you are not yet subscribed to Curves, please contact your CDD Vault account manager or the CDD Vault Support Team to discuss enabling these features in your Vault.
Vault Administrators can enable the new ‘Exponential Accumulation and Decay’ curve fit by navigating to the Settings > Vault > Plots page. Once the curve fit type is enabled, the equation can be used in a ‘Plot’ protocol readout definition instead of the standard Hill Equation.
CDD Vault will automatically calculate the following parameters from the data imported using the Exponential Accumulation and Decay Equation:
Sort Bioisosteric Suggestions by Chemical Property:
CDD Vault’s previously released AI Module includes the option to generate novel compound suggestions with bioisosteric functional group replacements. The subject molecule is split into drug-like chemical fragments based on various attachment points using the BRICS (breaking of retrosynthetically interesting chemical substructures) algorithm. Click the settings icon to view the list of automatically calculated chemical properties. Then click the up/down arrows next to the desired property to sort in ascending/descending order. The selected property is shown in bold in the results. Bioisosteres also can be registered, downloaded from the application, and analyzed in Visualization.
Upload Custom Libraries of Macromolecule Monomers:
Composing Macromolecules in the Import Data tab was enabled in a previous release. During a bulk import, users can now upload a secondary file containing a custom library of monomers. Drag and drop an SDF containing the custom monomers over the ‘custom peptides/custom nucleotides’ links. Clicking the hyperlink will show a pop up with the rendered custom monomers.
Option to Export Inventory Summary Only:
Search for a specific set of samples or browse all registered samples on the Inventory tab. When exporting the list of samples, choose whether to only export the summary information displayed, or to include all the sample event rows.
Extend Data Range in Visualization:
Display ranges in visualization can be extended outside of the range of results. This allows users to configure settings and save visualization sessions that apply to new data that could fall outside the previous test range. Use the settings gear icon in the report table at the bottom of the session to edit a column and set the custom range.
Preview Thumbnails:
Image files and PDFs can now be previewed wherever they are displayed within CDD Vault, including the search report table. Click on the file to open the file preview pop up. Use the controls at the top of the pop up to zoom in/out of the file or the arrow icon to download the original file.
ELN File Preview Carousel:
Preview image files and PDFs by clicking on a file. Users can now page through all of the attached files within an Entry by using the left and right keyboard arrows.
For assistance, questions, or to schedule a demo, please contact support@collaborativedrug.com.