This is a repository of OWL files and code used to produce the results and figures for the paper "A knowledge-graph approach to combustion chemistry and interoperability", by Feroz Farazi, Maurin Salamanca, Sebastian Mosbach, Jethro Akroyd, Andreas Eibeck, Leonardus Kevin Aditya, Arkadiusz Chadzynski, Kang Pan, Xiaochi Zhou, Shaocong Zhang, Mei Qi Lim, and Markus Kraft.

The ontokin.owl file contains the ontology (TBox) for representing chemical kinetic reaction mechanisms. All other OWL files are instantiations of this ontology each codifying a specific mechanism used in the paper. The files were used to produce Figs. 3-5 and 7 in the paper.

A copy of the source code, written as part of this project, of the web-interface that enables the visualisation and comparison of thermodata in different mechanisms represented ontologically, is provided in the "OntoKin-web-interface" folder. Licence: MIT (https://opensource.org/licenses/MIT).

The figures can be reproduced by populating an RDF4J triple-store with the provided OWL files, connecting the web-interface to this triple-store, and selecting one of the pre-defined queries in the interface.