Articles | Volume 17, issue 6
https://doi.org/10.5194/gmd-17-2419-2024
https://doi.org/10.5194/gmd-17-2419-2024
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

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Cited articles

Boykov, Y. and Kolmogorov, V.: An experimental comparison of min-cut/max-flow algorithms for energy minimization in vision, IEEE T. Pattern Anal., 26, 1124–1137, https://doi.org/10.1109/tpami.2004.60, 2004. a
Chapman, S.: A theory of upper-atmospheric ozone, Mem. R. Meteorol. Soc., 3, 103–125, 1930. a
Crutzen, P. J. and Schmailzl, U.: Chemical budgets of the stratosphere, Planet. Space Sci., 31, 1009–1032, https://doi.org/10.1016/0032-0633(83)90092-2, 1983. a, b
Edmonds, J. and Karp, R. M.: Theoretical improvements in algorithmic efficiency for network flow problems, J. Assoc. Comput. Mach., 19, 248–264, https://doi.org/10.1145/321694.321699, 1972. a
Garay-Ruiz, D., Álvarez-Moreno, M., Bo, C., and Martínez-Núñez, E.: New tools for taming complex reaction networks: The unimolecular decomposition of indole revisited, ACS Phys. Chem. Au, 2, 225–236, https://doi.org/10.1021/acsphyschemau.1C00051, 2022. a
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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.
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