Reaction databases patents

CASREACT The CASREACT Eile (The Chemical Absiracts Reaction Search Service) is a chemical reaction database with reaction inlormatioii derived from journal documients from 1974 to the present and from patent documeiiis from 1982 to date. Thie document-based file conlains both 3 million single-step and 3.0 million multi-step reactions (Pcbiniaiy, 2003). 

CASREACT (Chemical Abstracts Reaction Search Service) is a reaction database started in 1985 with more than 6.7 million reactions (3 million single-step and 3.7 million multi-step reactions) (March, 2003) derived from 400 000 documents (journals, patents, etc.). The records contain the following information ... 

CASREACT is a structure and text-searchable organic chemical reaction database containing more than 17 million single- and multistep reactions with more than six hundred thousand records from journal articles and patents with reaction information. Coverage is from 1840 to the present. 

The integrated databases are divided in this approach into structural and reaction databases. Other types of integrated databases are spectral databases and patent databases. Patent databases have an increasing importance in environmental questions related to technology. ... 

Inorganic Chemistry Databases Internet Internet-based Computational Chemistry Tools Markush Structure Searching in Patents Online Databases in Chemistry Protein Data Bank (PDB) A Database of 3D Structural Information of Biological Macromolecules Quantitative Structure Activity Relationships in Drug Design Reaction Databases Spectroscopic Databases Structure Databases Synthesis Design. 

Substance information such as chemical structures, molecular formulas, and chemical names Is stored in the REGISTRY database. This is the largest collection of chemical substance Information worldwide (see Section 3,1,2), While REGISTRY contains information on specific substances, generic substances are covered by MARPAT, Generic structures are called Markush structures after the American chemist Eugene Markush, who introduced these structures in the patent literature in 1924, MaRPAT comprises generic structures from the patent literature since 1988 (see Structure Representation). Chemical reactions or molecular transformations are covered by CASREACT (see also Reaction Databases). CASREACT has been indexed since 1985 and currently holds 2.9 million chemical reactions from the chemical and patent literature,... 

Secondly, chemical IR may be thought of as a specialized index into the scientific and patent literature, with the chemical structure representing an extremely condensed abstract of the journal article or patent document. In this sense, the structures are not stored for their intrinsic interest, but as pointers to other documents, some of which, for example, may be related to their synthesis, physicochemical properties and numeric data, or applications. This is the sense in which a few data vendors supply chemical and reaction databases (Derwent and Institute for Scientific Information), and the alternate sense in which the CAS databases may be used. The use of CIR systems in synthesis design - providing access, for example, to databases of reagents or starting materials, or of name reactions - provides a crucial tool for the contemporary chemical and pharmaceutical industry. 

Databases of chemical structures play a major role in chemical and pharmaceutical research, both for precise archival storage and as flexible research tools. No less important is their role in the organization, indexing and access to the evergrowing chemical literature chemical patent searching and reaction databases are two examples of this class of application. These roles will continue to be significant in the future. 

To get to know various databases covering the topics of bibliographic data, physicochemical properties, and spectroscopic, crystallographic, biological, structural, reaction, and patent data... 

We should not minimize the effects that electronic searching of patents has had on the business of research. In 1990, CAS introduced MARPAT, which is a database of Markush (generic) structures found in patent documents [1]. This database provided a valuable tool for patent searching in a more comprehensive way than had been available previously. In 1995, CAS launched SciFinder, which provided access to the patent literature for chemists on their desktops. Using the SciFinder interface, one may search for research topics, authors, companies, or structures/reactions. From a practical viewpoint, SciFinder did more to enhance the searching capabilities of the medicinal chemist than any other tool. Even today, SciFinder continues to provide a first pass through the patent literature when chemists want to include patents in their searching. Indeed, when a search is performed, patent references are included in the answer set. Only very recently have there been additional tools to search the patent literature that have found widespread use. 

It would require a Herculean effort to prepare a complete discussion and review of every report related to the synthesis, reaction, or application of an oxazole while tabulating every oxazole, oxazolone, oxazoline, and chiral bis(oxazoline) prepared and evaluated during the period of 1983-2001. Such an undertaking is beyond the scope of this review. Furthermore, the ease with which electronic databases, including the patent literature, can be searched, the data retrieved, and the information tabulated would render such a project somewhat redundant. 

Once the process criteria have been identified various strategies can be followed to obtain the biocatalyst for the desired biotiansformation. Most commonly, first a literature, patent and electronic media search is performed ( database mining ) in order to find established biocatalysts that are known to catalyze the desired reaction or that catalyze a reaction that is similar to it (see 5.3.2). Databases that are becoming... 

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). 

Markush Structure. Essentially a generic structure, in which a root or parent structure plus Rgroups and their members can represent an entire combinatorial library. Markush structures were developed for patent purposes, and the specification of substituents are often more general than in the case of generic structures or database queries. Markush structures are also used to represent generic reactions, in which the reactants and products are represented by generic structures. 

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