Crossfire properties

Beilstein is a much more comprehensive database, marketed under the name of MDL Crossfire, and requires a subscription fee for access. It contains far more organic substances and lists many more properties. The search commands include ... 

Beilstein/CrossFire. 1999. Properties of organic chemicals. Frankfurt, Germany. Cranium , Molecular Knowledge, Bedford, New Hampshire, 1998. Group contribution methods (GCM) for estimation of range of molecular properties. 

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

In many ways, the field of chemistry is extremely fortunate in having had powerful, specialized searching tools like SciFinder Scholar, STN Express, and MDL Crossfire (for Beilstein and Gmelin) available for many years. These tools permit a high degree of flexibility in searching for example, one can find journal articles that refer to compounds containing particular substructures, search for physical properties of particular compounds, and so on. However, these are bounded tools ... 

The MatWeb site (http //www.matweb.com/index. asp ckck=l) is different, since it deals mostly with materials, instead of individual chemical substances. The free sites, while offering significant amounts of data, do not compare with the information available from Beilstein s Crossfire product, which of course is commercially priced, either in terms of number of compounds or in terms of number of properties for each hit. ... 

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is more convenient to search for information in the electronic form of the database, hi addition, the printed series is no longer being updated.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. 

Beilstein Handbook of Organic Chemistry - The classic source of data on organic compounds, dating from the 18 century, Beilstein was converted to electronic form in the last decade of the 20" century. Over 8 million compounds and 5 million chemical reactions are now covered, with a broad range of physical properties as well as synthetic methods and ecolr cal data. The database is accessed by the CrossFire software... 

Kurtz S.M., M. Manley, A. Wang, et al. 2002-2003. Comparison of the properties of annealed crosslinked (Crossfire) and conventional polyethylene as hip bearing materials. Bull Hosp Jt Dis 6 17-27. 

Many chemists therefore take the view that the Beilstein and Gmelin files may be regarded as factual files, while the CAS and Derwent files are not. In the sense of the approach of the present article, this is certainly unfair to the latter pair, It is certainly true that in particular cases the generalized description of a property described in a generalized way in the abstract of a document may lead to valuable results which would be difficult or impossible to obtain without this form of soft data retrieval. For this very reason, Beilstein s CrossFire system has now started to include more and more soft data in the form of abstracts, titles, and other qualitative free text in its databases. 

The Beilstein CrossFire Organic Chemistry Database provides worldwide coverage of the literature relating to the preparations and properties of organic compounds. Beilstein is searchable in multiple ways, including chemical structure, formula, and physical property parameters. Beilstein indexes periodicals, books, dissertations, and patents dated 1800 to the present. 

This description sees the elements of the database as structures linked to properties linked to references, and a chemical reactions database is included . This reflects exactly the historical development of the Beilstein Handbook, and later the Beilstein file on STN and DIALOG these collections are lists of compounds, with subsections on property type, linked to sub-subsections of reference lists. But the CrossFire implementation is much more than this. It has a different data orientation, and can justly be regarded as a new implementation, in fact a... 

Table 5 Upper-level Property Hierarchy of CrossFire Chemical Data...

Figure 4 Example of the deeper-lying property data hierarchy of CrossFire...

The factual information types presented in Tables 7 and 8 have been obtained from CrossFire for brucine (as well as reaction information). However, owing to the quantity of data the actual values of the properties are not listed here, merely the number of occurrences. The information contains the usual list of identifiers, whereby it is interesting to note that there is very little overlap with the list produced from the Internet. 

We would stress that CrossFire is an excellent example of this sort of interactive involvement of the end user, with practically immediate response times, but is by no means the only system attempting to provide this. However, the example is particularly relevant because of the fact that the Beilstein file under traditional access at the online hosts STN and DIALOG displays no possibility of such fluent combination of document, substance, property, and reaction views, and substructure searching can be at least an order of magnitude slower. That this is not due to an inherent deficit of online files as opposed to inhouse files is shown by the fact that many subscribers to CrossFire do use this client/server system via remote access (i.e., by the telephone system, online). Rather, it is an indication of the flexibility, immediacy, and integration... 

Substances. This is the standard CrossFire in-house information system, providing chemists and information specialists with easy access to approximately 7 million structures and their associated chemical and physical properties, preparative methods, chemical behavior, and literature references. 

CrossFire Abstracts affords the most complete coverage of organic chemistry available. It is also very flexible, one can search for words in abstract and/or journal titles, focus on a time frame of interest take the resulting hit set and examine all the reactions, and all the compounds described in any one paper of interest and then hyperlink to one specific structure to gain access to 400 fields of chemical and physical properties, preparations, purifications, and methods of analysis, all with complete literature references. Beilstein covers the field dating from 1779 to the present. 

TABLE 14.1 Mechanical Properties for CUR 1050 Gamma Sterilized in Nitrogen and for Crossfire [21]... 

Clinical studies are underway for X3 at both the hip and knee. Two-year wear results are expected during late 2008 for the hip. At this short follow-up time the penetration is dominated by creep it will not be until 5-year results are available that a realistic comparison can be made to the wear of N2A ac and to Crossfire. Knee clini-cals are focused on clinical variables because there is no accepted methodology for in situ knee wear measurement. However, wear can be measured using retrievals. Retrieval analysis is ongoing as components become available. Oxidation and mechanical properties are being determined so that the in vivo performance of X3 can be compared to that of the earlier generation UHMWPEs. 

Kurtz SM, Hozack WJ, Turner J, Purtill J, MacDonald D, Sharkey P, Parvizi J, Manley MT, Rothman RH. Mechanical properties of retrieved highly crosslinked (Crossfire) liners after short-term implantation. J Arthroplasty 2005 20(7) 840-9. 

Kurtz SM, Austin M, Azzam K, Sharkey P, MacDonald D, Medel FJ, Hozack WJ. Mechanical properties, oxidation and clinical performance of retrieved highly cross-linked crossfire liners after intermediate-term implantation. J Arthroplasty 2008. (In Press). 

---