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https://doi.org/10.5194/egusphere-2023-1577
https://doi.org/10.5194/egusphere-2023-1577
02 Aug 2023
 | 02 Aug 2023

MEXPLORER 1.0.0-rc.0 – A mechanism explorer for analysis and visualization of chemical reaction pathways based on graph theory

Rolf Sander

Abstract. The open-source software MEXPLORER 1.0.0-rc.01 is presented here. The program can be used to analyze, reduce, and visualize complex chemical reaction mechanisms. The mathematics behind the tool is based on graph theory: chemical species are represented as vertices, and reactions as edges. MEXPLORER is a community model published under the GNU General Public License.

1The name of this version indicates that it is a release candidate used for the interactive discussion in GMDD. If necessary, bug fixes can still be made. The release of the final version MEXPLORER-1.0.0 is planned together with the final paper in GMD.

Publisher's note: Copernicus Publications remains neutral with regard to jurisdictional claims made in the text, published maps, institutional affiliations, or any other geographical representation in this preprint. The responsibility to include appropriate place names lies with the authors.
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Journal article(s) based on this preprint

25 Mar 2024
MEXPLORER 1.0.0 – a mechanism explorer for analysis and visualization of chemical reaction pathways based on graph theory
Rolf Sander
Geosci. Model Dev., 17, 2419–2425, https://doi.org/10.5194/gmd-17-2419-2024,https://doi.org/10.5194/gmd-17-2419-2024, 2024
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The requested preprint has a corresponding peer-reviewed final revised paper. You are encouraged to refer to the final revised version.

Short summary
The open-source software MEXPLORER 1.0.0-rc.0 is presented here. The program can be used to...
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