Literature DB >> 11604012

Chemical markup, XML and the World-Wide Web. 2. Information objects and the CMLDOM.

P Murray-Rust1, H S Rzepa.   

Abstract

We describe the development of a structured method of representing chemistry on the World-Wide Web using an object-oriented approach to information objects. We show how a document object model (DOM) for chemistry can be constructed using as its basis Chemical Markup Language (CML). Application of the CMLDOM to the development of chemical tools is described.

Entities:  

Year:  2001        PMID： 11604012     DOI： 10.1021/ci000404a

Source DB:  PubMed          Journal:  J Chem Inf Comput Sci        ISSN： 0095-2338


  9 in total

1.  Chemical reaction network knowledge graphs: the OntoRXN ontology.

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2.  Bioclipse 2: a scriptable integration platform for the life sciences.

Authors:  Ola Spjuth; Jonathan Alvarsson; Arvid Berg; Martin Eklund; Stefan Kuhn; Carl Mäsak; Gilleain Torrance; Johannes Wagener; Egon L Willighagen; Christoph Steinbeck; Jarl E S Wikberg
Journal:  BMC Bioinformatics       Date:  2009-12-03       Impact factor: 3.169

3.  Chemistry publication - making the revolution.

Authors:  Steven M Bachrach
Journal:  J Cheminform       Date:  2009-03-17       Impact factor: 5.514

4.  The semantics of Chemical Markup Language (CML) for computational chemistry : CompChem.

Authors:  Weerapong Phadungsukanan; Markus Kraft; Joe A Townsend; Peter Murray-Rust
Journal:  J Cheminform       Date:  2012-08-07       Impact factor: 5.514

5.  Open Babel: An open chemical toolbox.

Authors:  Noel M O'Boyle; Michael Banck; Craig A James; Chris Morley; Tim Vandermeersch; Geoffrey R Hutchison
Journal:  J Cheminform       Date:  2011-10-07       Impact factor: 5.514

6.  Mining chemical information from open patents.

Authors:  David M Jessop; Sam E Adams; Peter Murray-Rust
Journal:  J Cheminform       Date:  2011-10-14       Impact factor: 5.514

7.  The Blue Obelisk-interoperability in chemical informatics.

Authors:  Rajarshi Guha; Michael T Howard; Geoffrey R Hutchison; Peter Murray-Rust; Henry Rzepa; Christoph Steinbeck; Jörg Wegner; Egon L Willighagen
Journal:  J Chem Inf Model       Date:  2006 May-Jun       Impact factor: 4.956

8.  The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics.

Authors:  Christoph Steinbeck; Yongquan Han; Stefan Kuhn; Oliver Horlacher; Edgar Luttmann; Egon Willighagen
Journal:  J Chem Inf Comput Sci       Date:  2003 Mar-Apr

9.  Fragmentation trees for the structural characterisation of metabolites.

Authors:  Piotr T Kasper; Miguel Rojas-Chertó; Robert Mistrik; Theo Reijmers; Thomas Hankemeier; Rob J Vreeken
Journal:  Rapid Commun Mass Spectrom       Date:  2012-10-15       Impact factor: 2.419
  9 in total

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