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PMID: 16711717 Published · ppublish English Journal Article Research Support, Non-U.S. Gov't

The Blue Obelisk-interoperability in chemical informatics.

Journal of chemical information and modeling ·Vol. 46 ·No. 3 ·2006-00-00 ·Pages 991-8

Guha R, Howard MT, Hutchison GR, Murray-Rust P, Rzepa H, Steinbeck C, Wegner J, Willighagen EL

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.

MeSH Terms
Algorithms Chemical Phenomena Chemistry Informatics Internet Software
Authors & Affiliations
8 authors, click to expand affiliations / ORCID
Guha Rajarshi
Pennsylvania State University, University Park, Pennsylvania 16804-3000, Jmol Project, USA.
Howard Michael T
Hutchison Geoffrey R
Murray-Rust Peter
Rzepa Henry
Steinbeck Christoph
Wegner Jörg
Willighagen Egon L
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Article Info
Journal
Journal of chemical information and modeling
Abbr.
J Chem Inf Model
ISSN
1549-9596
DOI
10.1021/ci050400b
Published
2006-00-00
Pages
991-8
Language
English
Region
United States
NLM ID
101230060
PMCID
PMC4878861
Subset
IM
External Links
PubMed source DOI: 10.1021/ci050400b PMC Full Text View journal details
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