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Riccardi, Demian; Trautt, Zachary; Bazyleva, Ala; Paulechka, Eugene; Diky, Vladimir; Magee, Joseph W.; Kazakov, Andrei F.; Townsend, Scott A.; Muzny, Chris D.

Towards improved FAIRness of the ThermoML Archive

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  • Medientyp: E-Artikel
  • Titel: Towards improved FAIRness of the ThermoML Archive
  • Beteiligte: Riccardi, Demian; Trautt, Zachary; Bazyleva, Ala; Paulechka, Eugene; Diky, Vladimir; Magee, Joseph W.; Kazakov, Andrei F.; Townsend, Scott A.; Muzny, Chris D.
  • Erschienen: Wiley, 2022
  • Erschienen in: Journal of Computational Chemistry
  • Sprache: Englisch
  • DOI: 10.1002/jcc.26842
  • ISSN: 1096-987X; 0192-8651
  • Schlagwörter: Computational Mathematics ; General Chemistry
  • Entstehung:
  • Anmerkungen:
  • Beschreibung: <jats:title>Abstract</jats:title><jats:p>The ThermoML Archive is a subset of Thermodynamics Research Center (TRC) data holdings corresponding to cooperation between NIST TRC and five journals: <jats:italic>Journal of Chemical Engineering and Data</jats:italic> (ISSN: 1520‐5134), <jats:italic>The Journal of Chemical Thermodynamics</jats:italic> (ISSN: 1096‐3626), <jats:italic>Fluid Phase Equilibria</jats:italic> (ISSN: 0378‐3812), <jats:italic>Thermochimica Acta</jats:italic> (ISSN: 0040‐6031), and <jats:italic>International Journal of Thermophysics</jats:italic> (ISSN: 1572‐9567). Data from initial cooperation (around 2003) through the 2019 calendar year are included. The archive has undergone a major update with the goal of improving the FAIRness and user experience of the data provided by the service. The web application provides comprehensive property browsing and searching capabilities; searching relies on a RESTful API provided by the Cordra software for managing digital objects. JSON files with a schema derived from ThermoML are provided as an additional serialization to lower the barrier to programmatic consumption of the information, for stakeholders who may have a preference of JSON over XML. The ThermoML and JSON files for all available entries can be downloaded from <jats:ext-link xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="http://data.nist.gov">data.nist.gov</jats:ext-link> (<jats:ext-link xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="https://data.nist.gov/od/id/mds2-2422">https://data.nist.gov/od/id/mds2-2422</jats:ext-link>).</jats:p>