Literature DB >> 22932420

Applied and implied semantics in crystallographic publishing.

Brian McMahon1.   

Abstract

BACKGROUND: Crystallography is a data-rich, software-intensive scientific discipline with a community that has undertaken direct responsibility for publishing its own scientific journals. That community has worked actively to develop information exchange standards allowing readers of structure reports to access directly, and interact with, the scientific content of the articles.
RESULTS: Structure reports submitted to some journals of the International Union of Crystallography (IUCr) can be automatically validated and published through an efficient and cost-effective workflow. Readers can view and interact with the structures in three-dimensional visualization applications, and can access the experimental data should they wish to perform their own independent structure solution and refinement. The journals also layer on top of this facility a number of automated annotations and interpretations to add further scientific value.
CONCLUSIONS: The benefits of semantically rich information exchange standards have revolutionised the scholarly publishing process for crystallography, and establish a model relevant to many other physical science disciplines.

Entities:  

Year:  2012        PMID: 22932420      PMCID: PMC3497589          DOI: 10.1186/1758-2946-4-19

Source DB:  PubMed          Journal:  J Cheminform        ISSN: 1758-2946            Impact factor:   5.514


  10 in total

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Authors:  J D Westbrook; P E Bourne
Journal:  Bioinformatics       Date:  2000-02       Impact factor: 6.937

2.  The globalization of crystallographic knowledge.

Authors:  P Murray-Rust
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  1998-11-01

3.  Publication guidelines for structural modelling of small-angle scattering data from biomolecules in solution.

Authors:  David A Jacques; J Mitchell Guss; Dmitri I Svergun; Jill Trewhella
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2012-05-17

4.  DDLm: a new dictionary definition language.

Authors:  Nick Spadaccini; Sydney R Hall
Journal:  J Chem Inf Model       Date:  2012-07-31       Impact factor: 4.956

5.  dREL: a relational expression language for dictionary methods.

Authors:  Nick Spadaccini; Ian R Castleden; Doug du Boulay; Sydney R Hall
Journal:  J Chem Inf Model       Date:  2012-07-31       Impact factor: 4.956

6.  (2RS,4RS)-7-Fluoro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine and (2RS,4RS)-7-chloro-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine are isomorphous but not strictly isostructural.

Authors:  Maria C Blanco; Alirio Palma; Justo Cobo; Christopher Glidewell
Journal:  Acta Crystallogr C       Date:  2012-04-20       Impact factor: 1.172

7.  Creation of a nuclear magnetic resonance data repository and literature database.

Authors:  E L Ulrich; J L Markley; Y Kyogoku
Journal:  Protein Seq Data Anal       Date:  1989

8.  (5S,6R)-5-Methyl-6-phenyl-4-propyl-1,3,4-oxadiazinane-2-thione.

Authors:  Joshua L Kocher; Kate L Edler; Barbara A Bohling; George P Nora; Carrie Stafford; Shawn R Hitchcock; Gregory M Ferrence
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2009-05-29

9.  (E)-2-[2-(4-Chloro-benzyl-idene)hydrazin-1-yl]-4-{[3-(dimethyl-aza-nium-yl)prop-yl]amino}-quinazolin-1-ium bis-(perchlorate).

Authors:  Nan Jiang; Jian Zuo; Haiyan Wang; Ming Han; Xin Zhai
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-04-28

10.  A toolkit for publishing enhanced figures.

Authors:  Brian McMahon; Robert M Hanson
Journal:  J Appl Crystallogr       Date:  2008-07-01       Impact factor: 3.304

  10 in total
  2 in total

1.  Validation of the Crystallography Open Database using the Crystallographic Information Framework.

Authors:  Antanas Vaitkus; Andrius Merkys; Saulius Gražulis
Journal:  J Appl Crystallogr       Date:  2021-02-14       Impact factor: 4.868

2.  From data to analysis: linking NWChem and Avogadro with the syntax and semantics of Chemical Markup Language.

Authors:  Wibe A de Jong; Andrew M Walker; Marcus D Hanwell
Journal:  J Cheminform       Date:  2013-05-24       Impact factor: 5.514

  2 in total

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