CrossFire

This tutorial, which is based on the Beilstein update BS0202PR (May, 2002) and on the retrieval program Cro.ssFire Commander V6,. shows. some typical advanced search examples in the Beilstein database. It is assumed that the user already knows some of the basic features of the retrieval program. Moreover, in this tutorial the CrossFire Structure Editor is used instead of the (SIS/Draw Structure Editor. The first example is a combined application of structure aiM fact retrieval, whereas the second example demonstrates reaction retrieval. 

Figure 5-16. Structure editor of the CrossFire ComiTiander V6, showing the definition ofan atom list (consisting of hydrogen and chlorine atoms) for polychlorinated biphenyls.

Figure S-17. Fact editor of the CrossFire Commander V6 it is emphasized that the input can be provided in lower-case as well as in upper-case letters.

Figure 5-19. CrossFire Corrunander V6 with a coinbined structure and fact retrieval here only the end of the fact requirement can be seen.

Figure 5-22. CrossFire Commander V6 for the refinement of a pr retrieval by means of a fact search.

Beilstein Beilstein Information Systems, Inc. organic chemistry. nu- meric, struc- ture >8mio subst., >5 mio reactions 180 journals Beilstein Handbook MDL Information Systems GmbH commercial online, Chemweb, Crossfire quarterly wuAo.beilstein.- com... 

CrossFire Commander, AutoNom hitp //www.mimas.ac.uk/crosfire/download.html... 

Like CA, Beilstein is available online, including the useful search engine CrossFire. 

Several of the software tools used most frequently today include Beilstein Crossfire (information at www.mdli.com) and SciFinder from the Chemical Abstracts Service (www.cas.org/scifinder/) for structure-based reaction searches. Reagent availability information is often searched with MDL s ACD and CAS s SciFinder. Special compound collections and contract services offered by new companies such as ChemNavigator (www.chemnavigator.com)... 

Searching journal information continues to be the primary use of SciFinder for the medicinal chemist. One finds it especially useful for searching various topics, for instance, anti-inflammatory treatments. When performing structure/reaction-based searches, many chemists also use Beilstein CrossFire in conjunction with SciFinder. The reaction information from these systems is often complementary, and it is quite useful to have both SciFinder and CrossFire in a medicinal chemistry group. However, companies with restricted budget may have to choose one or the other. 

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. 

All chemical shift data presented in this book come either from the primary literature or from spectra obtained in the author s laboratory. All spectra actually depicted in the book derive from spectra obtained by the author at the University of Florida. All data from the literature were obtained via searches using MDL Crossfire Commander or SciFinder Scholar. Persons interested in accessing such primary literature can do so readily via these databases by simply searching for the specific compound mentioned in the text. 

Regarding the multitude of NMR chemical shifts of specific compounds that are provided within the text, references for chemical shifts of individual compounds for the most part will not be cited. It is assumed that if such references are required, the reader can find them by a quick search using either MDL Crossfire Commander or SciFinder Scholar. The author found MDL Crossfire Commander the superior database for locating specific NMR data. 

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... 

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. 

Arrow, Paul S. Kelley v. R.G. Industries California Caught in the Crossfire. Southwestern University Law Review, vol. 17, 1988, n.p. Argues that the court in the Kelley case should not have required that the gun in question have an actual defect in its design before determining whether it posed an excessive or unreasonable risk. 

Crossfire Crosslinked Poly(ethylene) (12) I Iowmedica Osteonics Corp. 

One proposed technique is to aim an array of laser beams at a common point and drop solid pellets of hydrogen isotopes through the synchronous crossfire, as Figure 4.32 shows. The energy of the multiple beams should crush the pellets to... 

Current IUPAC and Chemical Abstracts nomenclature has been employed in this index with the former given preference. Substitutive nomenclature has been given preference over radicofunc-tional, additive, subtractive, conjunctive or replacement nomenclature, except where this becomes unwieldy. With many bicyclic and polycyclic compounds bearing heteroatoms, standard bicyclic or polycyclic oxa, aza, and thia replacement nomenclature has often been used. With certain functional groups, where the names are rather complex and probably not familiar to most organic chemists, such as ylides, those compounds have simply been named as sulfur, tellurium and arsonic ylides. Metal catbenes have been treated similarly. With more complex functionality and many heterocycles, the Beilstein Commander Crossfire nomenclature system has been used with certain modifications. 

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

Beilstein, Crossfire, SPORE, Chemlnform Reaction Library, ORGSYN, etc. MDL 175 http //www.mdli.com... 

References to data retrieved from a stand-alone database should cite the source as a computer program (for example, MDL CrossFire Commander, see p 323 f) or as an online reference book (for example, the Kirk-Othmer Encyclopedia of Chemical Technology, see p 305 f), with the data entry number or other identifying information included at the end of the citation. Data retrieved from an Internet-based database should cite the source as a Web site (see pp 316 ff). If the data retrieved are calculated data, also cite the software used for calculation (for example, ACD/Labs). 

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