CrossFire Beilstein and Gmelin

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CrossFire Beilstein and Gmelin

• http//www.mimas.ac.uk/crossfire/

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Passwords

• OUCS personal account self-registration is
  available (from Oxford network only), using the
  Barcode Number on your University Card the
  username and password should be emailed to you by
  the next working day
• Register your personal ATHENS Username for use
  with CrossFire / Beilstein
• http//www.mimas.ac.uk/crossfire/athens_reg.html

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Beilsteins Handbuch der organischen Chemie
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Beilsteins Handbuch der organischen Chemie

• Commenced publication in 1881
• Definitive source for organic chemistry
  information
• Properties of compounds
• Methods of preparing compounds
• 1st edition covered about 15,000 compounds

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CrossFire Beilstein - coverage

• Organic compounds - names, structures etc.
• Properties, e.g. physical data, spectroscopy
• Methods of making organic compounds
• Reactions of organic compounds
• Physiological information

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CrossFire Beilstein - coverage

• gt 8 million structures
• gt 8 million searchable reactions
• gt 1.8 million citations
• gt 700 000 abstracts (since 1980)
• gt 35 million chemical property and bioactivity
  records
• Publications from 1771-date (but database only
  updated every 3 months)

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CrossFire Gmelin - coverage

• Information derived from Gmelin Handbuch der
  anorganischen Chemie
• Commenced publication in 1819
• Inorganic and organometallic compounds
• Preparations
• Properties
• Reactions
• Geological, mineralogical and metallurgical
  information
• e.g. occurrence, extraction from ores

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CrossFire Gmelin - coverage

• gt 1.7 million substances
• gt 900 000 citations
• gt 90 000 abstracts (rising rapidly)
• gt 1.4 million searchable reactions
• Publications from 1772-date (but database only
  updated every 3 months)

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How to search CrossFire

• By structure or sub-structure
• By numerical values of properties
• By text, e.g. bibliographic information
• By reaction (covered in advanced course)
• By browsing indexes

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Easy Data Search forms
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Browsing Indexes
e.g. Type of Substance index in Gmelin
e.g. Chemical Name index in Beilstein
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Structure and sub-structure searching
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Searching CrossFire

• Search 1 Find compounds with a melting point in
  the range 123-124C and a boiling point of gt350C

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CrossFire Data Structure
List values
From the Fact Editor, clicking on the List
Values button reveals the Beilstein data
structure. Clicking on the headings reveals more
specific search fields.
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Searching for compounds with particular properties
Set up the search in the Fact Editor
Display the hits retrieved
Return to the Beilstein Commander and run the
search.
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Searching CrossFire

• Search 2 Find compounds similar to the drug
  diazepam which also exhibit muscle relaxant
  properties

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List values
From the Fact Editor, clicking on the List
Values button reveals the Beilstein data
structure. Clicking on the headings reveals more
specific search fields.
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You can search the data structure by clicking on
the Find button to determine the correct field
code.
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Once the structure has been found, it is then
copied to the structure editor. The Cl atom is
erased and then a sub-structure search is carried
out to find related compounds.
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The text search field is searched for the words
muscle and relax
The Free Sites on all atoms box is checked to
ensure a sub-structure search is carried out
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Getting help

• Online through CrossFire
• FirePower
• MIMAS web pages
• Local contacts
• MIMAS helpdesk
• CrossFire discussion list

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• Web-based self-paced learning material for
  CrossFire
• Personal Athens username needed

firepower.mimas.ac.uk
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MIMAS CrossFire web pages

• http//www.mimas.ac.uk/crossfire
• News
• Registration
• Commander software
• Documentation
• Training materials

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Software

• Beilstein Commander Version 6
• AutoNom
• Installation Instructions
• Guide to main features
• PC / Macintosh versions