4 papers
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…
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…
Extremal chemical graphs of maximum degree at most 3 for 33 degree-based topological indices
Sébastien Bonte, Gauvain Devillez, Valentin Dusollier +2
We consider chemical graphs that are defined as connected graphs of maximum degree at most 3. We characterize the extremal graphs, meaning those that maximize or minimize 33 degree…
PHOEG Helps Obtaining Extremal Graphs
Gauvain Devillez, Pierre Hauweele, Hadrien Mélot
Extremal Graph Theory aims to determine bounds for graph invariants as well as the graphs attaining those bounds. We are currently developping PHOEG, an ecosystem of tools designed…