2025/01/04 by Sébastien Bonte, Gauvain Devillez, Bonte, Sébastien +7 · 3 citations
Chemistry · Computer Science · Mathematics · #Combinatorics (math.CO) #Computational Drug Discovery Methods #Discrete Mathematics (cs.DM) #FOS: Computer and information sciences #FOS: Mathematics #Graph theory and applications #History and advancements in chemistry
paper · pdf · doi:10.48550/arxiv.2501.02246
openalex publication_date 2025/01/04 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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-based topological indices. This study shows that five graph families are sufficient to characterize the extremal graphs of 29 of these 33 indices. In other words, the extremal properties of this set of degree-based topological indices vary very little.