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Reaxys @ GSU

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  • 1. Georgia State University
    Robert Tomaszewski
    rtomasze@gsu.edu
    404-413-2870
  • 2. Reaxys
    Reaxys is a web-basedsystem for searching organic, inorganic, and organometallic data. Vendor-Elsevier.
    The interface searches:
    Beilstein (Organic Chemistry from 1700's)
    Gmelin (Inorganic Chemistry from 1800's)
    Patent Chemistry Database (Patents from 1975)
  • 3. Accessing ReAXYS
    Access from the Library Website-
    • Article Databases & GALILEO Link
    • 4. Chemistry Research Guide
  • Supported Chemical editors
    - MarvinSketch (ChemAxon)- ISIS/Draw (Symyx)- Symyx Draw (Symyx)- CrossFire Structure Editor (Elsevier)- ChemDraw (CambridgeSoft)
    Reaxys defaults to MarvinSketch (requires current Java and JRE (Java Runtime Environment)
  • 5. Platforms for reaxys
    Windows PC
    Macintosh PC
    Linux
    Reaxys is supported on browsers Internet Explorer, Safari, and Mozilla Firefox
  • 6. THINK THREEWORDS!
    Physical
    Reactions
    Spectra
  • 7. Background
    Beilstein- Handbook of Organic Chemistry
    (1st Ed. 1881)
    Gmelin- Handbook of Inorganic & Organometallic Chemistry (1st Ed. 1817)
    Organic Chemistry and Life Science Patents - (USA-since 1976; World/Europe-since 1978)
  • 8. Handbook of Organic Chemistry (1st ed. 1881)
  • 9. BeilsteinHistory
    1881 - 1st Ed. Handbook of Organic Chemistry
    By Friedrich KonradBeilstein (Russian chemist)
    1885 - 2nd Edition
    1906 - 3rd Ed. and death of Beilstein
    1918 - 4th Ed. by German Chemical Society
    1984-1998 - Print 5th Supple./4th Ed. (covers 1960-1979)
    Only v. 17-27 (Heterocycles) published (English). Ceased publication in 1998
    1994 - Beilstein Client ‘CrossFire’ introduced!
    (Handbuch migrated to a database in 1980’s)
    2009 - Reaxys - web-based platform introduced!
  • 10. Beilstein Literature Coverage
    1771-1959 - Comprehensive organic journal coverage
    1869-1959 - Comprehensive patent coverage
    1960-1979 - Patents & 2,000 journals selectively reviewed
  • 11. Beilstein Literature Coverage
    1980-1994 - Cut back to 80 prime journals increasing over time to 120 journals (no patents)
    1980+ - Abstracts included
    1995 - Increased to 180 journals, adding ecotox & pharmacology coverage
    Currently ~220 journals covered
  • 12. beilstein Today
    Today, "Beilstein" represents the Handbook, Beilstein Online, CrossFire, CrossFire plus Reactions, and CrossFireGmelin, Autonom, Current Facts, and more.
  • 13. Beilstein NEWS
    2007 Elsevier acquired Beilstein database from frankfurt-based Beilstein Institute (Full Ownership)
    1st major open access chemistry journal – Beilstein J. of Organic Chemistry
  • 14. BeilsteinSearch Note
    Only about 50% of the compounds have CAS Registry Numbers
    Name searching is unreliable since Beilstein has relatively few synonyms
    Only sure search is a “Structure Search”
  • 15. gmelin
    • 1817 (3 vols.) HandbuchderTheoretischenChemie(Leopold Gmelin)
    • 16. 1852 5th edition HandbuchderTheoretischenChemie (organic chemistry was seperated and covered by Beilstein)
    • 17. 1922 8th edition (last edition).
    Supplements to the books continued to be issued.
    • 1887to 1981 published as: GmelinsHandbuchderanorganischenChemie (i.e., "Gmelin's handbook on inorganic chemistry")
    -1981 to September 1990 published as: Gmelin Handbook of Inorganic Chemistry (Since 1982 in English )
  • 18. Gmelin
    -1996 - GmelinCrossFire introduced!
    -1997 - Gmelin Inst. closed. Print version ceased
    -1995-1999 - Data gap: minimal coverage in online database
    -2000+ GmelinCrossFire produced by GesellschaftDeutscherChemiker and supplied by MDL
    -2009 - Reaxys - web-based platform introduced!
  • 19. Beilstein Compound Coverage
    Organics (<255 “heavy” atoms)
    Organometallics with Li, Na, K, Rb, Cs, Mg, Ca, Sr, and Ba central atoms
    Organometallic carbides, cyanides, cyanates, and thiocyanates with C-metal bonds
    Since 2002
    Biomolecules e.g., hormones, enzymes, & carbohydrates
    Mixtures & Polymers
  • 20. Beilstein/ GemlinSearches 3 databases
  • 21. Gmelin Compound Coverage
    Inorganics
    Switched to English in ~1982
    Since 1971
    Organometallics
    except Li, Na, K, Rb, Cs, Mg, Ca, Sr, & Ba central atoms
    Incl. metal-carbon bonds except carbides, cyanides, cyanates, and thiocyanates
  • 22. Beilstein Statistics
    ~10 million compounds and ~425 properties
    ~36 million “facts”
    ~18 million properties & spectra
    ~9 million eco-toxicological/pharmacology
    ~9 million reaction details (e.g., temperature, pressure, solvent, yield, etc.,)
    ~10 million reactions
    ~2 million literature references
    Current data is indexed from over 175 journals
  • 23. Gmelin Statistics
    2.2 million compounds with up to ~500 properties (Fields)
    1.6 million reactions
    1.1 million literature references
    Current data is indexed from over 62 journals
  • 24. Patent chemistry database content
    Patent documents from World, European, US patents (US, WO, EP) since 1976
    English language patents
    Historical patent coverage from Beilstein and Gmelin files (1869-1980)
    (Note - SciFinder Scholar has a more complete patent coverage)
  • 25. Beilstein User Statistics at GSU
  • 26. BeilsteinvS.Chemical Abstracts
  • 27. Beilstein/Gmelinvsscifinder scholar
  • 28. Endnote
    Yes - When you open the Output tool, select "Literature Management Systems" and then import your hits or range of hits into EndNote or other bibliographic management software.
  • 29. How to search?
    By structure, sub-structure
    (note - can generate structure from name!)
    By numerical values of properties
    By text, author(s) e.g., Bibliographic information
    Advanced searching for entering complex property/combination queries following the general rule "<field code> <operator> <field value(s)>"
  • 30. Alerts
    Need to register (Free) and then you can create alerts for your searches as well as customize your settings (e.g., colors of structure and text, hits per page, and searching options).
  • 31. History Sets
    History sets can be combined using AND, OR, NOT Boolean Operators.
  • 32. How do databases search?
    Boolean
    Operators
  • 33.
  • 34. Help with reaXYS
    Robert Tomaszewski
    rtomasze@gsu.edu
    404-413-2870