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The Blue Obelisk—Interoperability in Chemical Informatics

2006/02/22 by Rajarshi Guha, M. T. Howard, Geoffrey Hutchison +5 · 4 citations
Chemistry · Computer Science · #History and advancements in chemistry #Analytical Chemistry and Chromatography #Computational Drug Discovery Methods

paper · pdf · doi:10.1021/ci050400b

openalex publication_date 2006/02/22 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/22

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.

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