Structure Search Engines & Structure Editing Software
A wide variety of structure editors (or "drawing editors") are available to help you visualize and search specific chemical structures and reactions. Many of these require Java software, which you can update HERE if needed.
- SciFinder-n This link opens in a new windowUse the SciFinder 'Explore Substances' search options to uncover chemical properties data (search by Chemical Structure; Markush; Molecular Formula; or Substance Identifier). Find 'How To' tutorials on the 'Videos" tab of this guide.
- PubChem This link opens in a new windowFreely-accessible structure editor for searching and visualizing biologically-active molecules in 3-D
- ACD/ChemSketchFree structure editor provided by ACD/Labs
- Marvin (ChemAxon)Rich and useful assortment of free structure editing & visualization tools, including "MarvinSketch"
Access note: Freely available to the public.
- Enhanced National Cancer Institute (NCI) DatabasePublicly-accessible search engine providing structures, data, tools, programs and other useful information for researchers interested in computer-aided drug design and other types of chemical information
- MyChemiseMyChemise (My Chemical Structure Editor) is an open source Java-based structure editing tool with simple image export options.
- ChemSpider This link opens in a new windowBroad, detailed and comprehensive collection of aggregated, freely-accessible and curated chemical information, tools & resources.
Protein Structures
- Protein Data BankFind, explore and compare protein structures using various search options. Provided by the "Research Collaboratory for Structural Bioinformatics"
- NCBI Structure Searching ResourcesPortal provided by the "National Center for Biotechnology Information" to tools and resources for finding and searching structures, classification, biological activity, visualization and other aspects of proteins and other macromolecules.
Crystal Structure Data & Visualizations
- Crystallography Open Database (COD) This link opens in a new windowDatabase providing free browse/search access to around 150,000 ‘small molecule' & 'small to medium-sized' unit cell’ crystal structures. Partial or total database downloading is made possible, using a variety of communication protocols.
Access note: Freely available to the public.
- American Mineralogist Crystal Structure Database (AMCSED)Search or browse every structure published in the American Mineralogist, The Canadian Mineralogist, European Journal of Mineralogy and Physics and Chemistry of Minerals, as well as selected datasets from other journals.
- MiniCryst (Russian Academy of Sciences)Crystallographic and Crystallochemical Database for Minerals and their Structural Analogues.
- Minerology DatabaseAround 5,000 individual mineral species descriptions with links to crystallographic, diffraction, composition, physical properties, structure data, a comprehensive image library, and numerous links to additional information sources.
Chemical Nomenclature
- IUPAC NomenclatureInternational Union of Pure and Applied Chemistry (IUPAC) online guides to nomenclature across organic, physical, macromolecular, biological and analytical chemistry.
- Chemical Nomenclature Guide (MI State University)Guide to naming organic compounds provided by Michigan State University Department of Chemistry
- IUPAC Guide (Queen Mary University of London)Alternately formatted guide to the IUPAC Recommendations on Organic & Biochemical Nomenclature, Symbols & Terminology etc. prepared by the School of Biological and Chemical Sciences, Queen Mary University of London.
- IUPAC Nomenclature of Organic ChemistryAlternative interface for finding quick guidance on organic chemical nomenclature (published with permission of the IUPAC by Advanced Chemistry Development, Inc.)
- Chemical Nomenclature LiteSimple guide to naming and indexing chemical compounds--produced and updated by Charles H. Davis, Ph.D. at Indiana University.
- Nomenclature in Books & E-BooksA selection of useful DePaul books addressing aspects of chemical nomenclature.
- InChI International Chemical Identifier System (IUPAC)Find answers to your questions about this internationally-used and IUPAC approved structurally-derived character-string tagging system for chemical substances.
Structure Searching
