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Towards improved FAIRness of the ThermoML Archive

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The ThermoML Archive is a subset of Thermodynamics Research Center (TRC) data holdings corresponding to cooperation between NIST TRC and five journals: Journal of Chemical Engineering and Data (ISSN: 1520‐5134),… Click to show full abstract

The ThermoML Archive is a subset of Thermodynamics Research Center (TRC) data holdings corresponding to cooperation between NIST TRC and five journals: Journal of Chemical Engineering and Data (ISSN: 1520‐5134), The Journal of Chemical Thermodynamics (ISSN: 1096‐3626), Fluid Phase Equilibria (ISSN: 0378‐3812), Thermochimica Acta (ISSN: 0040‐6031), and International Journal of Thermophysics (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 data.nist.gov (https://data.nist.gov/od/id/mds2-2422).

Keywords: thermoml archive; thermodynamics; improved fairness; fairness thermoml; thermoml; towards improved

Journal Title: Journal of Computational Chemistry
Year Published: 2022

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