What is Chemical Registration?

And why is chemical registration so important?

Chemical registration is an essential system to ensure every compound you work with is identified uniquely. This single central source of identity should be used by everyone (and by all other systems) so you never lose track of exactly what compound was tested.  

Equally important is the chemical registration’s function to detect and link duplicates: Compounds may come in a different salt form, which could be considered a new batch of the same compound. A good chemical registration system will alert you if you have already tested a compound before you buy more or spend time screening it again in a slightly different form.


So just like a library needs to keep track of its books, you need to organize and track your compounds:

  • You need to know if multiple lots exist in order to average biological responses from multiple assays.
  • You need to know if you are registering the same compound with a different salt, or simply just a new lot of the same compound.
  • You need to be able to search your compounds by substructure and similarity. 

These capabilities are simply not possible if you keep track of your compounds in a flat file (e.g. SD file or a spreadsheet with SMILES strings). 

CDD Vault is a hosted cloud application that provides a full suite of research informatics tools, including chemical registration, in an intuitive, easy to use web interface.

>>Learn more about chemical registration using CDD Vault