Allow multiple codes per monomer:
You can now assign multiple codes to a single custom monomer, making it easier to work with monomers across vendors and collections. Previously, each monomer was limited to one code. Codes can be added at creation or over time, similarly to how multiple synonyms are supported for molecules. Each code remains unique across monomers, ensuring clear identification. When composing macromolecules, you can use any of the monomer's assigned codes interchangeably.
Monomer care:
CDD Vault now provides a way to identify and correct macromolecules containing outdated or incorrectly encoded monomers. Each monomer in a macromolecule is compared with the current monomer library, and the system flags discrepancies. These statuses are displayed directly on the macromolecule's diagram for quick visual review, along with a text summary and any resulting difference in molecular weight.
From the search results, add “Monomer Care” under the Molecules section in the Customize your Report interface. If the underlying monomer structure has been updated, a link to update the registered macromolecule structure is shown. Click to review the updates and then save. This feature enables a quick way to audit the macromolecule library and resolve monomer-level issues in minutes.
Create a Task:
Add tasks directly to any ELN entry in CDD Vault. Tasks provide a way to track action items such as completing a synthesis step, reviewing analytical data, or preparing materials for a follow-up experiment, right alongside the relevant notebook content.
Each task can be assigned to a Vault member, making it easy to delegate work to a colleague and keep everyone aligned on responsibilities. Assignees will see their pending tasks and can easily mark tasks as completed when viewing the entry.
Render macromolecules:
Registered macromolecules can now be rendered directly within an ELN entry. To link a macromolecule to an ELN entry, use the insert link or “@” and provide the name or ID of a registered macromolecule. A structure thumbnail is automatically generated inline. The rendering supports most macromolecule types currently registered in CDD Vault, including peptides, oligonucleotides, and bioconjugates with custom monomers.
Choose whether to display the CDD Vault-generated molecule name or a provided synonym under the structure as a hyperlink. Just like small-molecule registration, the option to register a new batch is available by hovering over the thumbnail and clicking the ‘Register’ button in the upper-left corner of the structure.
Result filters:
Histogram filters for Deep Learning results now support interactive selection. Vertical lines indicate the reference structure value. Click and drag on the histogram to select a range, which filters the results accordingly. An existing selection can be repositioned by clicking and dragging within it, or cleared by clicking outside it.
To provide feedback on features, or if you have questions and want to schedule a demo, please contact support@collaborativedrug.com.