CrossFire, Beilstein

The CrossFire Beilstein database is the world s largest compilation of chemical facts. This database indexes three primary data domains substances, reactions and literature. The substance domain stores structural information with aU associated facts and literature references, including chemical, physical and bioactivity data. The reaction domain details the preparation of substances, enabling scientists to investigate specific reaction pathways with reaction search queries. The literature domain includes citations, titles and abstracts, which are hyperhnked to the substance and reaction domain entries. It contains over 320 million experimental data, over 10 million reactions and data indexed from over 175 journals. 

Cross-file patent searches, 18 243-244 CrossFire Beilstein, 6 19 Cross-flow filtration, 11 383 15 827, 829 in porous pipes, 11 387-388 with rotating elements, 11 383-387 Cross flow model, 21 706 Cross-flow packed scrubber, 26 687-688 Crossflow plates, 6 762-763 Cross-flow screens, 22 282 Cross-flow velocity, 15 725 Crosshead mandrel, in VDC film extrusion, 25 732-733 Cross-lapping, 17 501 Cross-linkable epoxy thermoplastic system (CET), 10 436... 

Crossfire Beilstein Information Service Three main types of data, structural and properties, reactions including preparations and chemical literature references. 

Beilstein Database are described in The Beilstein System Strategies for Effective Searching, ed. S. R. Heller (Washington, DC American Chemical Society, 1997). In the 1990s, the Beilstein Institute together with MDL produced an Internet-based client-server system of the Beilstein Database, CrossFire Beilstein, which is now owned and updated by Elsevier Information Systems, Frankfurt. 

CrossFire Beilstein is available to subscribers as part of the CrossFire Database Suite. This package consists of CrossFire Beilstein, CrossFire Gmelin, and Patent Chemistry Database. Since January 2009, the contents of these three databases have been merged and are accessible through a new web-based interface, Reaxys (Table 1.4). 

For organic chemists, the core of the information available through CrossFire Beilstein and Reaxys is the data from Beilsteins Handbuch der Organischen Chemie from the Basic Series to Supplementary Series IV covering the literature from 1779 to 1959. The complete Handbuch information is available for more than 1.1 million compounds. In addition, for the primary literature from 1960 to 1979, there are data on about 3 million more compounds. 

Searching CrossFire Beilstein is fairly intuitive. Predefined search forms allow for searches on the following information ... 

In addition there is a Structure/Reaction search option. Guides and a Help button provide detailed information for searching CrossFire Beilstein. 

With its additional functionalities compared with CrossFire Beilstein, Reaxys allows users to identify specihc chemicals more easily, and optimise synthesis routes with detailed reaction information. Selected reactions and substances can be exported into different file formats, and selected references can be exported into reference management software. 

Like CA, Beilstein is available on-line, with the useful search engine Crossfire Beilstein. The Beilstein database is one of the best databases for organic chemistry, particularly synthetic organic chemistry. It contains information on 9.4 million organic substances that have been fully characterized, as well as 9.8 million reactions. Information available includes ... 

Fig. A.l. Structure Search for CrossFire Beilstein Beilstein Data Copyright (c) 1988-2006, Beilstein Institut zur Foerdening der Chemischen Wissenschaften licensed to Beilstein GmhH and MDL Information Systems GmbH. All rights reserved.

While many technical reference libraries have Beilstein in print form, it is more convenient to search for information in the electronic form of the database, hi addition, the printed series is no longer being updated. The electronic database allows a variety of searches on compounds and properties. Access to the electronic database is offered through CrossFire Beilstein [see http //www.mdl.com] or through the STN database system of the Chemical Abstracts Service [http //www.cas.org/stn.html]. Some details given in the print version (such as experimental methods) were not carried over to the electronic version, so in some cases it may be necessary to consult the print version or the literature citation for further information. 

When the comparison is with the real chemical world, novelty concerns much smaller numbers. In March 2002, the Chemical Abstracts Registry file contained more than 37 million chemical substance registrations, which contained almost 19.5 million organic and inorganic substances. The CrossFire Beilstein database contained data on over 8 million organic compounds on the same search date. It is a tedious exercise, but very much worth the effort, to take databases such as these based on Beilstein and remove trivial small molecules ( non-druglike ) and see how many compounds remain. The result is less than half a million. 

Beilstein database The database covers the scientific literature from 1771 to the present and contains experimentally validated information on millions of chemical reactions and substances from original scientific publications. The electronic database was based on Beilstein s Handbook of Organic Chemistiy. In this database, each compound is given a unique Beilstein Registiy Number which helps in their easy identification. Each substance has up to 350 fields containing chemical and physical data. References to the literature in which the reaction or substance data appears are also given. The content is made available through the CrossFire Beilstein database. 

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