Databases Beilstein

The Beilstein database [20] has more than 8.3 million (October, 2002) organic substance records from the Beilstein Handbook and abstracted from about 180 journals in organic chemistry from 1779 to the present. AH documents are critically evaluated and peer-reviewed. 

An introductory section about searching in the Beilstein Database can be found in the tutorial in Section 5.7. 

---

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 5-18. Interactive display of the detailed Beilstein database structure.

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. 

Beilstein. Beilstein [63], a structure and factual database covering organic chemistry, contains more than 7,688,485 substance records (3/2000). The organic substance records contain reviewed and evaluated documents from the Beilstein Handbook of Organic Chemistry as well as data from 120 journals in organic chemistry covering the period 1779 to the present. Beilstein Database is commercially available in several electronic formats. 

Beilstein Database, [Internet], URL http //www.beil-stein.com/, accessed 7-20-2000. 

A literature survey carried out in August 2003 in the Beilstein database BS0302PR (allene with maximum degrees of freedom in the structure editor, inp= in the fact editor) gave 194 hits. After taking into account redundant or wrong entries and several compounds not included in this database,... 

The structures of five additional endocydic allenes found in the Beilstein database (e.g. an 11-membered ring system [97e]) are probably incorrect. 

This chapter continues this work covering the literature of the last 10 years, that is, from 1996 until 2005. The preparation of this review was based on a literature search through SCOPUS and the Beilstein Database, which revealed 104 important papers published within this period. This chapter is organized in accordance with the general structure of CHEC-III, which includes a division into 12 sections including the same aspects as in CHEC-II(1996). For some aspects of thietane and thiete chemistry, such as their synthesis from six- and seven-membered rings, no new papers were published within the discussed period. 

Preparation of the chapter was based on a literature search through SCOPUS and the Beilstein Database, which identified 53 papers of value and which are discussed in this chapter. It is remarkable that so few papers appeared on fused thietanes and thietes during this period, and many of them are a continuation of previously published studies. To the best of our knowledge, only taxoids with fused thietane rings as well as mono- and disaccharides bearing fused thietane moieties constitute new classes of fused-ring thietanes and thietes. 

Beilstein s work was resnrrected by conversion of the printed work into an electronic format, the Beilstein Database. Details of this transition and the earlier marketed electronic formats of the... 

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. 

By using C NMR spectroscopy and single crystal X-ray analysis, the previous claims for the isolation of thiaziridines <1896CB59> (see Beilstein database) were shown to be erroneous <2005JSF111>. However, although the intermediacy of thiaziridines cannot be excluded in these and similar sulfur-transfer reactions, the addition of sulfur to aldimines results in the formation of isolable thioamides as products, not thiaziridines <2005JSF111>. 

As was mentioned before, there exist only two reports in which the isolation of the corresponding thiaziridines 50 and 51 has been claimed (Beilstein database). Recently, the reaction of adamantanethione 33 with phenyl azide and the reactive sulfur acceptor, aldimine 48 (Scheme 6), was reported to afford the 1,2,4-trithiolane 34, the thioamide 49, and the imine 52 <2005JSF111>. 

The Beilstein Database. The Beilstein Database, with over 8 million structures, is the oldest in existence, based on the Beilstein Handbook of Organic Chemistry, and contains data that extend back to 1771. The database is produced by the independent Beilstein Institute... 

CODENs, and patent information, are also stored. The data are organized into substance, reaction, and citation contexts, and a user can easily switch from one context to the other. An ACS symposium volume devoted to the Beilstein database has been published (96). 

BRN. The Beilstein Registry Number, which can be used to access structures in the Beilstein database. 

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 ... 

Beilstein Database, Beilstein Informationssysteme GmbH, Frankfurt, Germany. 

The HTSS system has been previously used for substructure searches of the Beilstein database on the Orbit online system, but this service was withdrawn in 1992 and replaced by the Dialog online system [28], which allows one to perform substructure searches of the Beilstein database using another substructure search system called S4. 

Beilstein Database, . 

The number of theoretically possible chemical structures for a given molecular formula can be very large. For example, a structure generator could generate more than 151 million isomers for a molecule with the molecular formula C6H5N4O (mass =150 Da). In contrast, the Beilstein database of organic compounds contains only 273 structures for this molecular formula [4]. 

---