Foreword

MATHlCHEMlCOMP\u279

Foreword

MATHlCHEMlCOMP\u279

Valence connectivity versus Randic, Zagreb and modified Zagreb index: A linear algorithm to check discriminative properties of indices in acyclic molecular graphs

Valence connectivity in molecular graphs is described by 10-tuples mu(ij) where mu(ij) denotes the number of edges connecting vertices of valences i and j. A shorter description is provided by 4-tuples containing the number of vertices and values of Randic, Zagreb and modified Zagreb indices. Surprisingly, these two descriptions are in one-to-one correspondence for all acyclic molecules of practical interest, i.e., for all those having no more than 100 atoms. This result was achieved by developing an efficient algorithm that is linear in the number of 10-tuples

Which Valence Connectivities Realize Monocyclic Molecules: Generating Algorithm and Its Application to Test Discriminative Properties of the Zagreb and Modified Zagreb Indices

Valence connectivities in hydrogen suppressed graphs are characterized by 10-tuples of quantities mij where mij is the number of edges that connect vertices of valences i and j. It is shown which 10-tuples are realizable by monocyclic graphs and this finding is used to compare discriminative properties of the Zagreb and modified Zagreb indices

Valence Connectivity versus Randić, Zagreb and Modified Zagreb Index: A Linear Algorithm to Check Discriminative Properties of Indices in Acyclic Molecular Graphs

Valence connectivity in molecular graphs is described by 10-tuples μij where μij denotes the number of edges connecting vertices of valences i and j. A shorter description is provided by 4-tuples containing the number of vertices and values of Randić, Zagreb and modified Zagreb indices. Surprisingly, these two descriptions are in one-to-one correspondence for all acyclic molecules of practical interest, i.e., for all those having no more than 100 atoms. This result was achieved by developing an efficient algorithm that is linear in the number of 10-tuples