Literature DB >> 18991372

Chemical Markup, XML and the World-Wide Web. 8. Polymer Markup Language.

Nico Adams1, Jerry Winter, Peter Murray-Rust, Henry S Rzepa.   

Abstract

Polymers are among the most important classes of materials but are only inadequately supported by modern informatics. The paper discusses the reasons why polymer informatics is considerably more challenging than small molecule informatics and develops a vision for the computer-aided design of polymers, based on modern semantic web technologies. The paper then discusses the development of Polymer Markup Language (PML). PML is an extensible language, designed to support the (structural) representation of polymers and polymer-related information. PML closely interoperates with Chemical Markup Language (CML) and overcomes a number of the previously identified challenges.

Entities:  

Year:  2008        PMID: 18991372     DOI: 10.1021/ci8002123

Source DB:  PubMed          Journal:  J Chem Inf Model        ISSN: 1549-9596            Impact factor:   4.956


  5 in total

1.  XMPP for cloud computing in bioinformatics supporting discovery and invocation of asynchronous web services.

Authors:  Johannes Wagener; Ola Spjuth; Egon L Willighagen; Jarl E S Wikberg
Journal:  BMC Bioinformatics       Date:  2009-09-04       Impact factor: 3.169

2.  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

3.  Chemical Entity Semantic Specification: Knowledge representation for efficient semantic cheminformatics and facile data integration.

Authors:  Leonid L Chepelev; Michel Dumontier
Journal:  J Cheminform       Date:  2011-05-19       Impact factor: 5.514

4.  The semantics of Chemical Markup Language (CML): dictionaries and conventions.

Authors:  Peter Murray-Rust; Joe A Townsend; Sam E Adams; Weerapong Phadungsukanan; Jens Thomas
Journal:  J Cheminform       Date:  2011-10-14       Impact factor: 5.514

5.  CML: Evolution and design.

Authors:  Peter Murray-Rust; Henry S Rzepa
Journal:  J Cheminform       Date:  2011-10-14       Impact factor: 5.514

  5 in total

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