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ChemAxon

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ChemAxon

ChemAxon
Type Private
Industry Life Sciences, Informatics, Cheminformatics
Founded 1998
Headquarters Budapest, Hungary
Website www.chemaxon.com

ChemAxon is a software company specializing in application programming interfaces and end user applications for cheminformatics and life science research with headquarters in Budapest, Hungary and Cambridge, Massachusetts.[1] The company's main customer base consists of pharmaceutical, agrochemical and biotechnology companies, as well as academic research groups and third parties wishing to integrate cheminformatic functionalities in their products and services.

Software

ChemAxon Products include tools for visualization and drawing of molecules, chemical database searching and management, and for drug discovery. Products are licensed free of charge for academic use.[2]

ChemAxon’s desktop applications include Marvin which is a free chemistry software for drawing and visualizing chemical structures,

Instant JChem, a desktop application for end user scientists; JChem for Excel which integrates the structure handling capabilities of JChem and Marvin within a Microsoft Excel environment.[3]

The software can be used to predict pKa values[4] and logP values.[5]

The company developmed Markush structure storage and search capabilities (without enumeration), with Markush structures from Thomson Reuters Derwent World Patents Index (DWPISM) database.[6]

Pearson Education uses ChemAxon's JChem, MarvinSketch, and MarvinView as the chemistry tools in many of Pearson MasteringChemistry courses.[7]

IFI CLAIMS® Patent Services (producer of global patent databases, analytic solutions and innovative web services) will deliver IFI’s global patent data over ChemAxon’s ChemCurator software platform.[8]

Methods

Molecule characterization data in the form of a simplified molecular-input line-entry system(SMILES) string can be uploaded into the Marvin software.

See also

References

  1. ^ McBride, Ryan (1 Oct 2012). "ChemAxon opens shop in 'heart' of Boston biotech hub". Retrieved 11 May 2014. 
  2. ^ "Chemaxon Announces Free Software for the Academic Community Via the Jchem and Marvin Academic Package". 27 Jul 2004. Retrieved 11 May 2014. 
  3. ^ "Company Overview of ChemAxon Kft.". Retrieved 11 May 2014. 
  4. ^ Toure, O.; Dussap, C.-G; Lebert, A. (2013). "Comparison of Predicted pKa Values for Some Amino-Acids, Dipeptides and Tripeptides,Using COSMO-RS, ChemAxon and ACD/Labs Methods". Oil & Gas Science and Technology – Rev. IFP Energies nouvelles 68 (2): 281–291.  
  5. ^ Chen, Jonathan; Swamidass, S. Joshua; Dou, Yimeng; Bruand, Jocelyne; Baldi, Pierre (2005). "ChemDB: a public database of small molecules and related chemoinformatics resources". Bioinformatics 21 (22): 4133–4139.  
  6. ^ IP data Feed
  7. ^ "Pearson Adds ChemAxon's Suite of Chemistry Tools to MasteringChemistry Products". 6 Dec 2012. Retrieved 11 May 2014. 
  8. ^ "ChemAxon Introduces ChemCurator for Chemical Information Extraction and Markush Structure Creation". 8 Oct 2014. Retrieved 17 Oct 2014. 

External links

  • ChemAxon's official homepage
  • Marvin and Calculator Plugin online implementation Free structure drawing/image generation and structure based predictions; pKa, logP, logD, name<>structure, polar surface area (PSA), H-bond acceptor/donor, conformer, topology analysis, etc.
  • chemicalize.org Public resource for visualizing chemistry on web pages and generating structure properties
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