Quantitative correlation of physical and chemical properties with chemical structure: utility for prediction
AR Katritzky, M Kuanar, S Slavov, CD Hall… - Chemical …, 2010 - ACS Publications
All properties of organic moleculessphysical, chemical, biological, and
technologicalsdepend on their chemical structure and vary with it in a systematic way. The …
technologicalsdepend on their chemical structure and vary with it in a systematic way. The …
On reformulated Zagreb indices
Zagreb indices were reformulated in terms of the edge-degrees instead of the vertex-
degrees as the original Zagreb indices. Three types of Zagreb indices were considered …
degrees as the original Zagreb indices. Three types of Zagreb indices were considered …
[HTML][HTML] Characteristics studies of molecular structures in drugs
In theoretical medicine, topological indices are defined to test the medicine and pharmacy
characteristics, such as melting point, boiling point, toxicity and other biological activities. As …
characteristics, such as melting point, boiling point, toxicity and other biological activities. As …
[BOOK][B] Graph-theoretical matrices in chemistry
Divided into five sections, this book offers 200 graph-theoretical matrices covering
adjacency and related matrices, distance and related matrices, incidence matrices, and …
adjacency and related matrices, distance and related matrices, incidence matrices, and …
On a class of distance-based molecular structure descriptors
A new class of distance-based molecular structure descriptors is put forward, aimed at
eliminating a general shortcoming of the Wiener and Wiener-type indices, namely that the …
eliminating a general shortcoming of the Wiener and Wiener-type indices, namely that the …
The many facets of the Estrada indices of graphs and networks
E Estrada - SeMA Journal, 2022 - Springer
The Estrada index of a graph/network is defined as the trace of the adjacency matrix
exponential. It has been extended to other graph-theoretic matrices, such as the Laplacian …
exponential. It has been extended to other graph-theoretic matrices, such as the Laplacian …
[BOOK][B] Solved and unsolved problems of structural chemistry
M Randić, M Novič, D Plavšić - 2016 - igi-global.com
This book covers the basic aspects of mathematical chemistry involving chemical graph
theory, with special emphasis and reference to the work of Prof. Milan Randić. It presents the …
theory, with special emphasis and reference to the work of Prof. Milan Randić. It presents the …
[HTML][HTML] On Harary index of graphs
The Harary index is defined as the sum of reciprocals of distances between all pairs of
vertices of a connected graph. For a connected graph G=(V, E) and two nonadjacent vertices …
vertices of a connected graph. For a connected graph G=(V, E) and two nonadjacent vertices …
[PDF][PDF] On topological indices and their reciprocals
On Topological Indices and Their Reciprocals 1 Introduction Page 1 MATCH Communications
in Mathematical and in Computer Chemistry MATCH Commun. Math. Comput. Chem. 91 …
in Mathematical and in Computer Chemistry MATCH Commun. Math. Comput. Chem. 91 …
[HTML][HTML] On the reciprocal degree distance of graphs
H Hua, S Zhang - Discrete Applied Mathematics, 2012 - Elsevier
In this paper, we study a new graph invariant named reciprocal degree distance (RDD),
defined for a connected graph G as vertex-degree-weighted sum of the reciprocal distances …
defined for a connected graph G as vertex-degree-weighted sum of the reciprocal distances …