Signals Notebook: How to manually select a PubChem entry in case of multiple PubChem entries with the same CAS number when using the option "Update from PubChem"

Sometimes, CAS numbers are associated with multiple chemical structures. How can a user select the desired structure when using the “Update from PubChem” feature?

Answer: Allowing the user to select the desired structure using the “Update from PubChem” function helps prevent potential confusion regarding the information in cases where a CAS number is associated with different chemical structures. Below is a step-by-step guide on how to select the desired structure.

1. Access to Signals Notebook.

2. Select the smart folder "Materials".

3. Access the material for which you want to update this information.

4. Select the option "Update from PubChem".
   

5. A dialog box will appear indicating that some data may be overwritten. If you want to continue, select the “Confirm” option.
   

6. In this case, there are two possible scenarios:

   • Scenario 1 - The CAS number is associated with a single chemical structure: In this case, all the information will be populated without any inconvenience.

   • Scenario 2 - The CAS number is associated with multiple chemical structures: In this case, Signals will open a dialog box displaying the various chemical structures associated with the CAS number. You should select the desired chemical structure and then click “Confirm”.
     

Once this process is complete, the desired information will have been successfully updated.