CDD Vault Update (Oct 2025): Control Aggregates in Calculations, Bulk Update Current Inventory Amounts, Bioisosteric Structural Alerts, Create Custom Monomers, Plot Updates

Refer to control aggregates in calculations:

View normalization and reference-based calculations directly within a run report for advanced data analyses. Create custom calculations using control data aggregates for both positive and negative controls.

Supports calculations such as:

• Subtraction of reference control values from samples
• Ratios between sample and reference averages (e.g., efficacy % = [compound span]/[reference compound span] × 100)
• Ratio of maximum measured of a test compound to the reference maximum

Normalized % inhibition of a reference molecule is displayed per plate on the Data Summary page — consistent with the display of mean IC₅₀ values in dose-response protocols.

Bulk update current inventory amounts:

To streamline inventory reconciliation processes, especially for users collaborating with CROs or external inventory management firms, users can now bulk update the current amounts remaining of registered samples.

UI Enhancements:

• Users can import an Excel file containing current sample amounts
• A new option allows users to set the current amount directly (in addition to debit/credit operations)

API Enhancements:

• The same “set current amount” feature is available through the API, supporting synchronization between CDD Vault and external system
  

Structural alerts in bioisosteric suggestions:

Structural alerts are now displayed with the option to bypass filters for bioisosteric suggestions. This offers greater flexibility when exploring molecular modifications, particularly for projects investigating covalent binders or reactive compounds.

Hover over Alerts to see which alerts are triggered.

Open the settings dialog and uncheck “Remove additional structural alerts” to see unfiltered results.

User-defined custom monomers:

Users, other than the Account Administrator, now have the ability to define custom monomers in a Vault. The custom monomer (either an amino acid or nucleotide) is first registered as the molecular structure. For example, see the thiophosphate modified oligonucleotide monomer below:

After registration, use the “Create monomer” link to define the attachment points and a custom code. Then, use the custom codes during bulk sequence registration in the Import Data wizard. User roles and project access apply to the creation, editing, and access of these custom monomers.

Radar Plot:

Within Visualization, add radar plots to your data analysis. Analyze up to 20 molecules across a maximum of 50 parameters in a single plot.

Multiply Y-axes on plots:

Create curve overlay plots between two different protocols with two different y-axis ranges. To add a secondary y-axis, edit the plot settings and choose the secondary y-axis to display on the right-hand side of the graph. A secondary axis can be added for protocol conditions as well.To provide feedback on features, or if you have questions and want to schedule a demo, please contact support@collaborativedrug.com.