InChI: open-source chemical structure representation algorithm

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

Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on
Authored by:
Noel M O'Boyle
Rajarshi Guha
Egon L Willighagen
Samuel E Adams
Jonathan Alvarsson
Jean-Claude Bradley
Igor V Filippov
Robert M Hanson
Marcus D Hanwell
Geoffrey R Hutchison
Craig A James
Nina Jeliazkova
Andrew SID Lang
Karol M Langner
David C Lonie
Daniel M Lowe
Jérôme Pansanel
Dmitry Pavlov
Ola Spjuth
Christoph Steinbeck
Adam L Tenderholt
Kevin J Theisen
Peter Murray-Rust



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.


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.


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.

Content Type OER
Uploaded By Andrew Cornell
Content Link
License Open Access
Content Status publish
Number of Comments No Comments
Date Published October 14, 2011
Content Tags Application, Audience, Cheminformatics, Content type, Curricular Material, Document, English, File Type, Graduate, HTML, InChI Application, Language, Organic Chemistry, PDF, Publication, Researcher, Script, Search, Software, ePub