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cs.DM2025
ChemicHull: an online tool for determining extremal chemical graphs of maximum degree at most 3 for any degree-based topological indices
Sébastien Bonte, Gauvain Devillez, Valentin Dusollier +3
Topological indices are graph-theoretic descriptors that play a crucial role in mathematical chemistry, capturing the structural characteristics of molecules and enabling the predi…
math.CO2025
Complete polyhedral description of chemical graphs of maximum degree at most 3
Valentin Dusollier, Sébastien Bonte, Gauvain Devillez +3
Chemical graphs are simple undirected connected graphs, where vertices represent atoms in a molecule and edges represent chemical bonds. A degree-based topological index is a molec…