Journal of Cheminformatics

Journal of Cheminformatics

Journal of Cheminformatics Impact Factor 3.42

2 New themed series of papers now publishing


Semantic Physical Sciences

Guest Editors:

2012 Skolnik Award winners
Peter Murray-Rust, University of Cambridge
Henry Rzepa, Imperial College London

  • From an invited workshop & symposium to investigate and formalise the use of semantics in physical sciences, applying primary technologies based on chemical mark-up language (CML) and MathML to create fully semantic declarative scientific objects
  • Publications include:
    • Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
    • CompChem: the semantics of CML for computational chemistry
    • Chemical datuments as scientific enablers



InChI and its influence on the domain of chemical information

Guest Editor

Antony Williams, Royal Society of Chemistry

  • Describing the applications and utility of the IUPAC International Chemical Identifier (InChI), and reviewing the need for a standard identifier in chemistry, the development of InChI, and its applications, limitations and future developments
  • Publications include

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