This release makes it easier for you to avoid registering duplicate structures and includes a collection of other enhancements.
Tautomeric structure detection
When new structures are registered in the CDD Vault, they are compared to existing molecules. If equivalent structures are found by InChIKey, a suspicious “unintentional duplicates” event is reported. When this event is accepted by the user, tautomeric structures are now registered as batches under the same core molecule ID. Rejecting the event results in skipping the row altogether. If you do intend to register two structures that have the same InChIKey, you can do so manually. Read the full article for details.- Search results can now be sorted by plate name
- Exports use padded well references (A01 instead of A1) for ease of sorting in Excel
- Messages now automatically add the sender to the email notification list
- The full-featured ChemAxon Marvin structure editor is launched automatically when the structure is not supported by the lighter Javascript editor
- CSV file delimiters (commas or semicolons) are interpreted correctly regardless of the user's locale setting
Other posts you might be interested in
View All Posts
CDD Vault Updates
5 min
January 29, 2025
CDD Vault Update (January 2025): New Curve Fits, Exponential Decay and Scatter Plot, Hide Outliers in Plot Export, Register an AI Generated Molecule, Create Custom Molecule Optimization Scores
Read More
CDD Blog
8 min
January 9, 2025
Drug Discovery Industry Roundup with Barry Bunin — January 9th, 2025
Read More
CDD Vault Updates
3 min
January 6, 2025
CDD Vault Update (December #2): Create a Sample from a Debit, Suggest Bioisosteres for Unregistered Structures, Copy Protocols Across Vaults
Read More