Reaxys

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Reaxys is a web-based tool for the retrieval of chemistry information and data from published literature, including journals and patents. The information includes chemical compounds, chemical reactions, chemical properties, related bibliographic data, substance data with synthesis planning information, as well as experimental procedures from selected journals and patents. It is licensed by Elsevier. [1]

Contents

Reaxys was launched in 2009 as the successor to the CrossFire databases. It was developed to provide research chemists with access to current and historical, relevant, organic, inorganic and organometallic chemistry information, from reliable sources via an easy-to-use interface. [2]

Scope and access

One of the primary goals of Reaxys is to provide research chemists with access to experimentally measured data – reactions, physical, chemical or pharmacological – in one universal and factual platform. [3] Content covers organic, medicinal, synthetic, agro, fine, catalyst, inorganic and process chemistry and provides information on structures, reactions, and citations. Additional features include a synthesis planner and access to commercial availability information. There have been regular releases and enhancements to Reaxys since it was first launched, including similarity searching.

Reaxys provides links to Scopus for all matching articles and interoperability with ScienceDirect. Access to the database is subject to an annual license agreement.

Core data

The content covers more than 200 years of chemistry and has been abstracted from several thousands of journal titles, books and patents. [4] Today the data is drawn from selected journals (400 titles) and chemistry patents, and the excerption process for each reaction or substance data included needs to meet three conditions:

  1. It has a chemical structure
  2. It is supported by an experimental fact (property, preparation, reaction)
  3. It has a credible citation

Journals covered include Advanced Synthesis and Catalysis, Journal of American Chemical Society, Journal of Organometallic Chemistry, Synlett and Tetrahedron.

Patents in Reaxys come from the International Patent Classes: [2]

See also

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Chemist Scientist trained in the study of chemistry

A chemist is a scientist trained in the study of chemistry. Chemists study the composition of matter and its properties. Chemists carefully describe the properties they study in terms of quantities, with detail on the level of molecules and their component atoms. Chemists carefully measure substance proportions, reaction rates, and other chemical properties. The word 'chemist' is also used to address Pharmacists in Commonwealth English.

The following outline is provided as an overview of and topical guide to chemistry:

Inorganic chemistry deals with the synthesis and behavior of inorganic and organometallic compounds. This field covers all chemical compounds except the myriad organic compounds, which are the subjects of organic chemistry. The distinction between the two disciplines is far from absolute, as there is much overlap in the subdiscipline of organometallic chemistry. It has applications in every aspect of the chemical industry, including catalysis, materials science, pigments, surfactants, coatings, medications, fuels, and agriculture.

Organic compound Chemical compound that contains carbon (except for several compounds traditionally classified as inorganic compounds)

In chemistry, organic compounds are generally any chemical compounds that contain carbon. Due to carbon's ability to catenate, millions of organic compounds are known. The study of the properties, reactions, and syntheses of organic compounds comprises the discipline known as organic chemistry. For historical reasons, a few classes of carbon-containing compounds, along with a handful of other exceptions, are not classified as organic compounds and are considered inorganic. Other than those just named, little consensus exists among chemists on precisely which carbon-containing compounds are excluded, making any rigorous definition of an organic compound elusive.

Organic chemistry Subdiscipline of chemistry

Organic chemistry is a subdiscipline of chemistry that studies the structure, properties and reactions of organic compounds, which contain carbon in covalent bonding. Study of structure determines their chemical composition and formula. Study of properties includes physical and chemical properties, and evaluation of chemical reactivity to understand their behavior. The study of organic reactions includes the chemical synthesis of natural products, drugs, and polymers, and study of individual organic molecules in the laboratory and via theoretical study.

Chemical synthesis is the artificial execution of useful chemical reactions to obtain one or several products. This occurs by physical and chemical manipulations usually involving one or more reactions. In modern laboratory uses, the process is reproducible, reliable, and established to work the same in multiple laboratories.

Robert Burns Woodward American chemist

Robert Burns Woodward FRS(For) HFRSE was an American organic chemist. He is considered by many to be the most preeminent synthetic organic chemist of the twentieth century, having made many key contributions to the subject, especially in the synthesis of complex natural products and the determination of their molecular structure. He also worked closely with Roald Hoffmann on theoretical studies of chemical reactions. He was awarded the Nobel Prize in Chemistry in 1965.

American Chemical Society American scientific society

The American Chemical Society (ACS) is a scientific society based in the United States that supports scientific inquiry in the field of chemistry. Founded in 1876 at New York University, the ACS currently has nearly 157,000 members at all degree levels and in all fields of chemistry, chemical engineering, and related fields. It is the world's largest scientific society by membership. The ACS is a 501(c)(3) non-profit organization and holds a congressional charter under Title 36 of the United States Code. Its headquarters are located in Washington, D.C., and it has a large concentration of staff in Columbus, Ohio.

Total synthesis is the complete chemical synthesis of a complex molecule, often a natural product, from simple, commercially available precursors. It usually refers to a process not involving the aid of biological processes, which distinguishes it from semisynthesis. The target molecules can be natural products, medicinally important active ingredients, or organic compounds of theoretical interest. Often the aim is to discover new route of synthesis for a target molecule for which there already exist known routes. Sometimes no route exists and the chemist wishes to find a viable route for the first time. One important purpose of total synthesis is the discovery of new chemical reactions and new chemical reagents.

Medicinal chemistry scientific branch of pharmaceutical chemistry

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Cerium(III) chloride (CeCl3), also known as cerous chloride or cerium trichloride, is a compound of cerium and chlorine. It is a white hygroscopic solid; it rapidly absorbs water on exposure to moist air to form a hydrate, which appears to be of variable composition, though the heptahydrate CeCl3·7H2O is known. It is highly soluble in water, and (when anhydrous) it is soluble in ethanol and acetone.

The Beilstein database is the largest database in the field of organic chemistry, in which compounds are uniquely identified by their Beilstein Registry Number. 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 created from Beilstein's Handbook of Organic Chemistry, founded by Friedrich Konrad Beilstein in 1881, but has appeared online under a number of different names, including Crossfire Beilstein. Since 2009, the content has been maintained and distributed by Elsevier Information Systems in Frankfurt under the product name "Reaxys".

The Willard Gibbs Award, presented by the Chicago Section of the American Chemical Society, was established in 1910 by William A. Converse (1862–1940), a former Chairman and Secretary of the Chicago Section of the society and named for Professor Josiah Willard Gibbs (1839–1903) of Yale University. Gibbs, whose formulation of the Phase Rule founded a new science, is considered by many to be the only American-born scientist whose discoveries are as fundamental in nature as those of Newton and Galileo.

In 1957, the research organization of the Chemicals Department of E. I. du Pont de Nemours and Company was renamed Central Research Department, beginning the history of the premier scientific organization within DuPont and one of the foremost industrial laboratories devoted to basic science. Located primarily at the DuPont Experimental Station and Chestnut Run, in Wilmington, Delaware, it has expanded to include laboratories in Geneva, Switzerland, Seoul, South Korea, Shanghai, China, and Hyderabad, India. In January, 2016 a major layoff marked the end of the organization.

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The Gmelin database is a large database of organometallic and inorganic compounds updated quarterly. It is based on the German publication Gmelins Handbuch der anorganischen Chemie which was originally published by Leopold Gmelin in 1817; the last print edition, the 8th, appeared in the 1990s.

The RXNO Ontology is a formal ontology of chemical named reactions. It was originally developed at the Royal Society of Chemistry (RSC) and is associated with the Open Biomedical Ontologies Foundry. The RXNO ontology unifies several previous attempts to systematize chemical reactions including the Merck Index and the hierarchy of Carey, Laffan, Thomson and Williams.

References

  1. Baykoucheva, Svetla (2015). "Chapter 5: Finding and Managing Scientific Information". Managing Scientific Information and Research Data. CP Chandos Publishing. pp. 35–36. ISBN   978-0-08-100195-0.
  2. 1 2 White, M.J. (2014). "Chapter 3: Chemical Patents". In Currano, J.N.; Roth, D.L. (eds.). Chemical Information for Chemists, a Primer. The Royal Society of Chemistry. p. 84. ISBN   978-1-84973-551-3.
  3. Cooper, C (2011). Organic Chemist's Desk Reference (2nd ed.). CRC Press. pp. 14–15. ISBN   978-1-4398-1166-5.
  4. Leonard, J.; Lygo, B.; Procter, G. (2013). "Chapter 17: The Chemical Literature". Advanced Practical Organic Chemistry (3rd ed.). CRC Press. p. 295. ISBN   978-1-4665-9354-1.