From the connectivity index to various Randić-type descriptors

Y Ma, Y Shi, I Gutman, B Furtula - MATCH Communications in …, 2018 - scidar.kg.ac.rs
The Randić index was proposed by Randić in 1975 and has been widely studied in different
areas. We briefly review the Randić index and various Randić-type descriptors from 1975 to …

[PDF][PDF] Degree-based topological indices

I Gutman - Croatica chemica acta, 2013 - hrcak.srce.hr
Degree-Based Topological Indices† Page 1 † Dedicated to Professor Douglas Jay Klein on
the occasion of his 70th birthday. CROATICA CHEMICA ACTA CCACAA, ISSN 0011-1643 …

Topological characterization and graph entropies of tessellations of kekulene structures: existence of isentropic structures and applications to thermochemistry …

SRJ Kavitha, J Abraham, M Arockiaraj… - The Journal of …, 2021 - ACS Publications
Tessellations of kekulenes and cycloarenes are of considerable interest as nanomolecular
belts in trapping and transportation of heavy metal ions and chloride ions, as they possess …

Three new/old vertex-degree-based topological indices

I Gutman, B Furtula, C Elphick - MATCH communications in …, 2014 - scidar.kg.ac.rs
Three vertex-degree-based graph invariants are presented, that earlier have been
considered in the chemical and/or mathematical literature, but that evaded the attention of …

On structure-sensitivity of degree-based topological indices

B Furtula, I Gutman, M Dehmer - Applied Mathematics and Computation, 2013 - Elsevier
One of the general requirements for any topological index TI is that similar molecules have
near-lying TI-values, which is referred to as “smoothness”. Curiously, however, smoothness …

[PDF][PDF] Testing the quality of molecular structure descriptors. Vertex-degree-based topological indices

I Gutman, J Tošović - Journal of the Serbian Chemical Society, 2013 - doiserbia.nb.rs
The correlation ability of 20 vertex-degree-based topological indices, occurring in the
chemical literature, is tested for the case of standard heats of formation and normal boiling …

[HTML][HTML] A survey of Nordhaus–Gaddum type relations

M Aouchiche, P Hansen - Discrete Applied Mathematics, 2013 - Elsevier
In 1956, Nordhaus and Gaddum gave lower and upper bounds on the sum and the product
of the chromatic number of a graph and its complement, in terms of the order of the graph …

On vertex-degree-based molecular structure descriptors

T Došlić, B Furtula, A Graovac, I Gutman… - … in Mathematical and …, 2011 - scidar.kg.ac.rs
If\(G=(\mathbf {V}\\mathbf {E})\) is a molecular graph and\(d_u\) is the degree of vertex\(u\),
then the first and second Zagreb indices are\(\sum_ {u\in\mathbf {V}} d_u^ 2\) and\(\sum …

[HTML][HTML] Degree-based topological indices and polynomials of hyaluronic acid-curcumin conjugates

P Ali, SAK Kirmani, O Al Rugaie, F Azam - Saudi Pharmaceutical Journal, 2020 - Elsevier
Quantitative structure–activity relationship (QSAR) represents quantitative correlation of
chemical structural features called as molecular descriptors and pharmacological activity as …

Graph entropies, enumeration of circuits, walks and topological properties of three classes of isoreticular metal organic frameworks

J Abraham, M Arockiaraj, J Jency, SRJ Kavitha… - Journal of Mathematical …, 2022 - Springer
One of the fundamental challenges in reticular chemistry is the characterization of the
complexity of the underlying molecular network, in which high complexity signifies low …