Research Guides: Chemistry: Structure-Based Searching

Search by Chemical Structure

The following tools allow you to draw a structural formula and search for known compounds with similar structures:

EMolecules
Find Suppliers and Information for over 8 Million Unique Chemicals.
ChemSpider - Structure Search
Easy to use. Draw structures and search by similarity. Provides physical properties, Chemical ID numbers, and relevant literature of results.

SciFinder

Search Chemical Abstracts. Also access CAS Registry of 20M+ substances and Medline.
You must register for SciFinder before you can use it.

The following databases provide structural formula:

PubChem
Three linked databases within the National Center for Biotechnology Information Entrez information retrieval system. You can search these databases by names, synonyms, keywords: PubChem Substance; PubChem Compound; PubChem BioAssay.
ChemSpider
ChemSpider is a free access service providing a structure centric community for chemists. Providing access to millions of chemical structures and integration to a multitude of other online services ChemSpider is the richest single source of structure-based chemistry information.

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