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Chemistry: Searching by structure

An introduction to Library resources for Chemistry

Structure searching

A number of databases including SciFinder now enable you to search using a graphical interface to input a chemical structure. 

Structure searching in Chemspider

Chemspider supports the use of chemical structures as search queries. You can draw a structure using the editor, or convert a structure from an identifier. Chemspider also enables substructure and similarity searching. 

 

This step-by-step guide also provides a useful overview of searching by structure in Chemspider.


PubChem Structure Search has a drawing editor and you can also search by uploading a structure file.