Getting the Most Out of SciFinder-n: Substance Searching

Structure Searching

Users can enter a CAS Registry Number, SMILES, or InChl to upload a structure into CAS Draw.  After uploading and searching a structure in CAS Draw, results will include the exact search, substructure search, and similarity search. To learn more about structure searching, watch this training video.

Drawing Structures

You can search SciFinderⁿ by drawing its structure in the CAS Draw Structure Editor, which uses either CAS Draw or ChemDoodle. For an overview of the features and functionalities, watch this training video.

In this example, the core structure of penicillin is shown, with a variable R group that will allow users to search for molecules containing that partial structure.

Using Substance Advanced Search Fields

Using the advanced search fields, users can search in many different ways, including the substance name or ID (CAS, RN, patent number, PubMed ID, AN, CAN, DOI), properties, or spectra. For more details, see this substance search guide or this webinar.

Refining Substance Search Results

Search results can be refined using a number of different filters and exclusions. An example of a refined substance search result is shown below.