The Blue Obelisk—Interoperability in Chemical Informatics

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.

DOI: 10.1021/ci050400b

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@inproceedings{Guha2006TheBO, title={The Blue Obelisk—Interoperability in Chemical Informatics}, author={Rajarshi Guha and Michael T. Howard and Geoffrey R. Hutchison and Peter Murray-Rust and Henry S. Rzepa and Christoph Steinbeck and J{\"{o}rg K. Wegner and Egon L. Willighagen}, booktitle={Journal of Chemical Information and Modeling}, year={2006} }