Abstract

The Blue Obelisk Movement (http://www.blueobelisk.org/) is the name used by a diverse Internet group promoting reusable chemistry via open source software development, consistent and complimentary chemoinformatics research, open data, and open standards. We outline recent examples of cooperation in the Blue Obelisk group: a shared dictionary of algorithms and implementations in chemoinformatics algorithms drawing from our various software projects; a shared repository of chemoinformatics data including elemental properties, atomic radii, isotopes, atom typing rules, and so forth; and Web services for the platform-independent use of chemoinformatics programs.

Keywords

CheminformaticsInteroperabilityComputer scienceInformaticsWorld Wide WebImplementationThe InternetSoftwareChemistrySoftware engineeringEngineeringOperating systemComputational chemistry

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Publication Info

Year
2006
Type
article
Volume
46
Issue
3
Pages
991-998
Citations
394
Access
Closed

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Rajarshi Guha, M. T. Howard, Geoffrey Hutchison et al. (2006). The Blue Obelisk—Interoperability in Chemical Informatics. Journal of Chemical Information and Modeling , 46 (3) , 991-998. https://doi.org/10.1021/ci050400b

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DOI
10.1021/ci050400b