MEXPLORER 1.0.0 – a mechanism explorer for analysis and visualization of chemical reaction pathways based on graph theory

Sander, Rolf

doi:https://doi.org/10.5194/gmd-17-2419-2024

Articles | Volume 17, issue 6

https://doi.org/10.5194/gmd-17-2419-2024

© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.

Special issue:

The atmospheric chemistry box model CAABA/MECCA (GMD/ACP inter-journal...

https://doi.org/10.5194/gmd-17-2419-2024

© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.

Articles | Volume 17, issue 6

Methods for assessment of models

|

25 Mar 2024

Methods for assessment of models |

| 25 Mar 2024

MEXPLORER 1.0.0 – a mechanism explorer for analysis and visualization of chemical reaction pathways based on graph theory

Rolf Sander

Model code and software

MEXPLORER - a mechanism explorer Rolf Sander https://doi.org/10.5281/zenodo.10618328

The community atmospheric chemistry box model CAABA/MECCA Rolf Sander https://doi.org/10.5281/zenodo.4707937

Short summary

The open-source software MEXPLORER 1.0.0 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.