Reaxys

From Intellogist

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Introduction

Reaxys is a web-based chemical search, analysis and workflow tool. Reaxys provides links to Scopus for all matching articles. Reaxys is a newer and more advanced product than an earlier offering from Elsevier, Crossfire Commander. As of 2011, "Reaxys has completely replaced the Crossfire Databases."^[1]

According to the Reaxys FAQ: "Reaxys is based on the combined content of CrossFire Beilstein, Gmelin and the Patent Chemistry Database (PCD)."^[2] A full list journals and patents covered by Reaxys can be found in this document (PDF).^[3]

Source coverage includes selected patents and journals which are then indexed with organic chemistry information, synthetic routes, bioassay results, logPs, toxicity values, reactions, phophetic compounds and expanded Markush displays among other fields, including information from the Gmelin database.^[4]

Recent Updates

March 2012 - The following updates were incorporated into the latest Reaxys release:^[5]

• PubChem integration: PubChem is a public database providing valuable chemistry and bioactivity information to the research community. Its integration with Reaxys means that a single structure search yields results in Reaxys and PubChem in parallel, with the results presented in the familiar Reaxys interface. TOC headers are hyperlinked to PubChem so you can directly access PubChem from Reaxys.
• Bi-weekly content updates: the content in Reaxys is now updated on a bi-weekly basis.
• MarvinSketch 5.8: this version of Marvin is customized to the particular needs and requirements of a Reaxys user – Reaxys relevant features have been optimized for a smoother user experience and the loading performance has been increased. It requires Java 1.6 or higher to be installed – if you have this, and would like to enable this customized MarvinSketch then please contact the Reaxys customer care

November 2011 - According to a press release from Elsevier, Reaxys is now interoperable with the PerkinElmer Informatics E-Notebook.^[6] Users can enter queries in E-Notebook and view results in Reaxys.^[6] Relavent information can then be imported directly into the relavent sections in E-Notebook.^[6]

September 2011 - According to the "Latest Release Information" on the Reaxys website, key updates in the September 2010 update to Reaxys include:^[7]

• Structure similarity searching: a new similarity searching method allows researchers to quickly find results in Reaxys even if the structure of interest does not exist in Reaxys’ extensive dataset. Reaxys similarity searching is fast enough to provide results for five different similarities almost instantaneously – the researcher can select which result set to view (positional/stereo isomers, near, medium, wide and widest similarity).
• Reaction similarity searching: it is now also possible to search for similar reactions of a given reaction query: Reaxys will analyze the reaction query, identify the atoms and groups involved in the reaction process and run a search for all reactions that show similar characteristics. The reaction similarity searching is fast and provides results in a few seconds.
• Structure Search Enhancements:
  • Link nodes: it is now possible to use the Link nodes feature in the Structure Editors (Link nodes allow specifying query structures containing rings or chains of variable size).
  • Unsaturated atom: an atom of a given structure query can be defined as being unsaturated
  • Frequency exact in R-Groups: it is possible to define the exact frequency of R-groups in structure queries
  • Multi-center bonds: Reaxys supports queries containing multi-center bonds
  • Aromatic bond: Reaxys supports the search for aromatic bond types.

January 2011- New features include:^[8]

• "Tautomer Searching: this option has been added to the query options on the substance and reaction query tabs so tautomers can be included from your initial search."
• "Generate Structure from Name has been further updated, enabling you to be more specific by adding the operators "is", "starts with", "ends with" or "contains". This means you can search for sub-strings and name fragments."
• "View citing articles now displays the embedded citation information from Scopus on a new page within Reaxys for Scopus subscribers. All links from this page point directly to SciVerse Scopus."
• "New Availability filters have been added to the reaction and substance results pages, enabling you to filter by 'availability,' 'product availability,' or 'reactant availability' as appropriate."

2010 - A 2010 update from Elsevier added interoperability between ScienceDirect and Reaxys:

To further improve discoverability and usefulness of the chemistry, authors submitting articles to selected journals are invited to contribute structure (MOL) files of their key compounds. These structure files will be used to visually display all the key compounds referenced in the article in a single scrollable list and will contain direct links to Reaxys, straight from ScienceDirect. It is already possible to access the full-text literature from Reaxys; now Reaxys content is available from ScienceDirect, completing the circle. Furthermore compound identifiers (InChI keys) will be added to the structures, making both the article and its key compounds more discoverable through mainstream search engines like Google.^[9]

Sources

1. ↑ "Frequently Asked Questions." Reaxys website, https://www.reaxys.com/info/faq. Accessed April 27, 2011.
2. ↑ "Reaxys FAQ." Reaxys website, http://www.info.reaxys.com/faq. Accessed on April 14, 2010.
3. ↑ "What's In Reaxys." Reaxys website, https://www.reaxys.com/info/whatsinreaxys. Access April 21, 2011.
4. ↑ "Reaxys Coverage." Reaxys website, http://www.info.reaxys.com/about_coverage. Accessed on April 14, 2010.
5. ↑ "Latest Release Information." Reasxys website, https://www.reaxys.com/info/latestreleaseinformation. Accessed July 1, 2012.
6. ↑ ^{6.0 6.1 6.2} "Elsevier and PerkinElmer Informatics Announce Interoperability Between E-Notebook and Reaxys® ." Elsevier website, http://www.elsevier.com/wps/find/authored_newsitem.cws_home/companynews05_02146. Accessed November 15, 2011.
7. ↑ "Latest Release Information." Reaxys website, https://www.reaxys.com/info/latestreleaseinformation. Accessed November 15, 2011.
8. ↑ "Latest Release Information." Reaxys website, https://www.reaxys.com/info/latestreleaseinformation. Accessed April 21, 2011.
9. ↑ "Interoperability between Reaxys and ScienceDirect." Reaxys website, https://www.reaxys.com/info/node/320. Accessed April 21, 2011.