Literature DB >> 15534696

Representation and use of chemistry in the global electronic age.

Peter Murray-Rust1, Henry S Rzepa, Simon M Tyrrell, Yong Zhang.   

Abstract

We present an overview of the current state of public semantic chemistry and propose new approaches at a strategic and a detailed level. We show by example how a model for a Chemical Semantic Web can be constructed using machine-processed data and information from journal articles.

Year:  2004        PMID： 15534696     DOI： 10.1039/B410732B

Source DB:  PubMed          Journal:  Org Biomol Chem        ISSN： 1477-0520            Impact factor:   3.876


  9 in total

1.  Virtual computational chemistry laboratory--design and description.

Authors:  Igor V Tetko; Johann Gasteiger; Roberto Todeschini; Andrea Mauri; David Livingstone; Peter Ertl; Vladimir A Palyulin; Eugene V Radchenko; Nikolay S Zefirov; Alexander S Makarenko; Vsevolod Yu Tanchuk; Volodymyr V Prokopenko
Journal:  J Comput Aided Mol Des       Date:  2005-06       Impact factor: 3.686

2.  A global resource for computational chemistry.

Authors:  Peter Murray-Rust; Henry S Rzepa; James J P Stewart; Yong Zhang
Journal:  J Mol Model       Date:  2005-07-21       Impact factor: 1.810

3.  Many InChIs and quite some feat.

Authors:  Wendy A Warr
Journal:  J Comput Aided Mol Des       Date:  2015-06-17       Impact factor: 3.686

4.  CiTO, the Citation Typing Ontology.

Authors:  David Shotton
Journal:  J Biomed Semantics       Date:  2010-06-22

5.  Chemistry in bioinformatics.

Authors:  Peter Murray-Rust; John B O Mitchell; Henry S Rzepa
Journal:  BMC Bioinformatics       Date:  2005-06-07       Impact factor: 3.169

6.  Communication and re-use of chemical information in bioscience.

Authors:  Peter Murray-Rust; John B O Mitchell; Henry S Rzepa
Journal:  BMC Bioinformatics       Date:  2005-07-18       Impact factor: 3.169

Review 7.  From Platform to Knowledge Graph: Evolution of Laboratory Automation.

Authors:  Jiaru Bai; Liwei Cao; Sebastian Mosbach; Jethro Akroyd; Alexei A Lapkin; Markus Kraft
Journal:  JACS Au       Date:  2022-01-10

8.  LabTrove: a lightweight, web based, laboratory "blog" as a route towards a marked up record of work in a bioscience research laboratory.

Authors:  Andrew J Milsted; Jennifer R Hale; Jeremy G Frey; Cameron Neylon
Journal:  PLoS One       Date:  2013-07-23       Impact factor: 3.240

9.  Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance.

Authors:  Jeremy G Frey; Colin L Bird
Journal:  Wiley Interdiscip Rev Comput Mol Sci       Date:  2013-01-08
  9 in total

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