Signals Notebook: Salt Uniqueness Check in Normalized Compound Registration

Description

When registering batches in a normalized compound library, inconsistent salt addition methods (drawing salts vs. manually adding in product tables) can result in compounds not recognized as identical by the uniqueness check. This leads to duplicate batches bypassing duplicate detection, as salts may be interpreted differently.

Solution

• Always draw salts directly in the batch drawing for normalized compounds rather than manually entering salts in the product table.
• Allow the application to automatically add the salt information to the salts section based on the batch drawing.
• Avoid mixing salt addition methods to ensure consistent formula representation and accurate uniqueness checks.
• Check chemical formula and mass for consistency after registration to confirm identical batches are recognized.