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Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on

  1. Author:
    O'Boyle, N. M.
    Guha, R.
    Willighagen, E. L.
    Adams, S. E.
    Alvarsson, J.
    Bradley, J. C.
    Filippov, I. V.
    Hanson, R. M.
    Hanwell, M. D.
    Hutchison, G. R.
    James, C. A.
    Jeliazkova, N.
    Lang, A.
    Langner, K. M.
    Lonie, D. C.
    Lowe, D. M.
    Pansanel, J.
    Pavlov, D.
    Spjuth, O.
    Steinbeck, C.
    Tenderholt, A. L.
    Theisen, K. J.
    Murray-Rust, P.

  2. Author Address

    [O'Boyle, Noel M.] Natl Univ Ireland Univ Coll Cork, Analyt & Biol Chem Res Facil, Cork, Ireland. [Guha, Rajarshi] NIH, Ctr Translat Therapeut, Rockville, MD 20878 USA. [Willighagen, Egon L.] Karolinska Inst, Inst Environm Med, Div Mol Toxicol, S-17177 Stockholm, Sweden. [Adams, Samuel E.; Lowe, Daniel M.; Murray-Rust, Peter] Univ Cambridge, Dept Chem, Unilever Ctr Mol Sci Informat, Cambridge CB2 1EW, England. [Alvarsson, Jonathan; Spjuth, Ola] Uppsala Univ, Dept Pharmaceut Biosci, S-75124 Uppsala, Sweden. [Bradley, Jean-Claude] Drexel Univ, Dept Chem, Philadelphia, PA 19104 USA. [Filippov, Igor V.] NCI, Biol Chem Lab, Basic Res Program, SAIC Frederick Inc, Frederick, MD 21702 USA. [Hanson, Robert M.] St Olaf Coll, Northfield, MN 55057 USA. [Hanwell, Marcus D.] Kitware Inc, Clifton Pk, NY 12065 USA. [Hutchison, Geoffrey R.] Univ Pittsburgh, Dept Chem, Pittsburgh, PA 15260 USA. [James, Craig A.] eMolecules Inc, Solana Beach, CA 92075 USA. [Jeliazkova, Nina] Ideaconsult Ltd, Sofia 1000, Bulgaria. [Lang, Andrew S. I. D.] Oral Roberts Univ, Dept Engn Comp Sci Phys & Math, Tulsa, OK 74171 USA. [Langner, Karol M.] Leiden Univ, Leiden Inst Chem, NL-2333 CC Leiden, Netherlands. [Lonie, David C.] SUNY Buffalo, Dept Chem, Buffalo, NY 14260 USA. [Pansanel, Jerome] Univ Strasbourg, IPHC, CNRS, UMR7178, F-67037 Strasbourg, France. [Pavlov, Dmitry] GGA Software Serv LLC, St Petersburg 194342, Russia. [Steinbeck, Christoph] EBI, Cheminformat & Metab Team, Cambridge, England. [Tenderholt, Adam L.] Univ Washington, Dept Chem, Seattle, WA 98195 USA. [Theisen, Kevin J.] iChemLabs, Piscataway, NJ 08854 USA.;O'Boyle, NM (reprint author), Natl Univ Ireland Univ Coll Cork, Analyt & Biol Chem Res Facil, Cavanagh Pharm Bldg,Coll Rd, Cork, Ireland;baoilleach@gmail.com
    1. Year: 2011
    2. Date: Oct
  2. Journal: Journal of Cheminformatics
    1. 3
  4. Type of Article: Article
  5. Article Number: 37
  6. ISSN: 1758-2946
  1. Abstract:

    Background: The Blue Obelisk movement was established in 2005 as a response to the lack of Open Data, Open Standards and Open Source (ODOSOS) in chemistry. It aims to make it easier to carry out chemistry research by promoting interoperability between chemistry software, encouraging cooperation between Open Source developers, and developing community resources and Open Standards. Results: This contribution looks back on the work carried out by the Blue Obelisk in the past 5 years and surveys progress and remaining challenges in the areas of Open Data, Open Standards, and Open Source in chemistry. Conclusions: We show that the Blue Obelisk has been very successful in bringing together researchers and developers with common interests in ODOSOS, leading to development of many useful resources freely available to the chemistry community.

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External Sources

  1. View Full Text
  2. DOI: 10.1186/1758-2946-3-37
  3. View record in Web of Science®
  4. WOS: 000300232100004

Library Notes

  1. Fiscal Year: FY2011-2012
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