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Create Compound Lists with User-Defined Fields

Do you want to quickly pull up a list of molecules that you reference all the time, or search for the same molecules over and over by exact names? You can create a saved search based on the molecule IDs, but this is limited to 65,535 character searches or 20,000 search terms.

A way to create a set of compounds that you can easily retrieve via molecule keyword search, is by assigning a label to each compound in the collection. The label will be stored in a user-defined field on each molecule record. 

So when you need to search for all the molecules in the collection, you simply enter the search label into the keyword search field, instead of writing out exact molecule IDs.


Here are the steps:

1) Create an import file with compound (and batch) IDs of all molecules you wish to add to the collection.

2) Start the batch import process.

3) On step two of the import, add a field with the collection label, by clicking on the blank "add a field" column, and filling out the form:


4) Map the newly created field to a user-defined field under molecule fields. If this is the first time you have created a collection field, create a new one. If this is not the first time, the system will automatically map it. Complete the mapping of the Molecule Name (and Batch) fields. 


5) Now finish the import, and search for your collection under the Molecule Keywords on the Explore Data tab.