5 papers
PHOEG: an online tool for discovery and education in extremal graph theory
Sébastien Bonte, Gauvain Devillez, Valentin Dusollier +1
Extremal Graph Theory heavily relies on exploring bounds and inequalities between graph invariants, a task complicated by the rapid combinatorial explosion of graphs. Various tools…
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…
Extremal Chemical Graphs for the Arithmetic-Geometric Index
Alain Hertz, Sébastien Bonte, Gauvain Devillez +3
The arithmetic-geometric index is a newly proposed degree-based graph invariant in mathematical chemistry. We give a sharp upper bound on the value of this invariant for connected…