January 15, 2026
Macromolecule Registration Updates:
You can define and register your custom amino acids and nucleotides as reusable building blocks to create and manage sequence-defined macromolecules now in CDD Vault.
Create/Register Custom Monomers:
In the structure editor, draw your custom monomer and choose to register that monomer as a new molecule in CDD Vault directly from the canvas. 
Custom monomers registered in CDD Vault are automatically added to the custom monomer library within the structure editor and can be used to create macromolecules.
Bulk Register Custom Monomers:
Custom monomers can be registered in bulk in a similar process to molecule registration. Using an excel or csv file, choose the option to ‘Compose monomers from columns’ in Step 2 of the Import Data wizard. 
Map each relevant column in the file to the corresponding radio button when composing monomers. Use columns to map to structure (SMILES or Mol text), monomer type, monomer code, and the natural analog of the new custom monomer. The mapper displays a preview of the monomer in the right-hand column. Once the monomers are registered, their codes can be used in sequence registrations and the monomers are added to the library available in the macromolecule editor.
BBB Score:
The ‘BBB Score’ (Blood Brain Barrier) has been added to the list of chemical properties that CDD Vault automatically calculates upon registering a chemical structure. 
This score is based on the BBB score from the publication by Gupta et al. that utilizes multiple physicochemical descriptors to create a composite score. These descriptors include number of aromatic rings, heavy atoms, hydrogen bond donors, hydrogen bond acceptors, molecular weight, topological polar surface area, and pKa. (DOI: 10.1021/acs.jmedchem.9b01220)
The CDD Vault calculated BBB score accounts for differences in software used to determine the descriptors and utilizes a greatly enlarged dataset of about 8000 compounds for its training.
The score can be used for filtering search results, displayed in the search report table, and calculated within Visualization.
Property Models Update:
The models for logP, logD, and pKa have been updated to version 2025.09.
Add New Data to a Visualization Session:
After configuring a Visualization session, add new protocol data and molecules by using the plus sign icon at the top of the page. Previously, users would need to perform a new search, and relaunch an entirely new Visualization session to add data that either didn’t match the original search criteria or wasn’t included using Customize your Report. This feature is only available for Visualization sessions originating from a Vault search, not from a standalone session using a data file.
Multiple molecules or protocols can be added at once by selecting the desired options in the dropdown menu. Using the table settings, users can then customize which columns are displayed from the newly added fields. 
To provide feedback on features, or if you have questions and want to schedule a demo, please contact support@collaborativedrug.com.