Analytical expressions for Wiener indices of n-circumscribed peri-condensed benzenoid graphs

Quadras, Jasintha; Balasubramanian, K.; Christy, K. Arputha

doi:10.1007/s10910-016-0596-9

Cited by 12 publications

(3 citation statements)

References 20 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The papers on Wiener related indices can refer to Knor et al, 2016, Mujahed and Nagy, 2016, Quadras et al, 2016, Ghorbani and Klavzar, 2016, Sedlar, 2015, Pattabiraman and Paulraja, 2015, Fazlollahi and Shabani, 2014, Ilic et al, 2012, Heydari, 2010, Eliasi, 2009, Lucic et al, 2002.…”

Section: Introductionmentioning

confidence: 99%

Characteristics studies of molecular structures in drugs

Gao

Wang

Basavanagoud

et al. 2017

Saudi Pharmaceutical Journal

View full text Add to dashboard Cite

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 basic molecular structures, hexagonal jagged-rectangle and distance-regular structure are widely appeared in medicine, pharmacy and biology engineering. In this paper, we study the chemical properties of hexagonal jagged-rectangle from the mathematical point of view. Several vertex distance-based indices are determined. Furthermore, the Wiener related indices of distance-regular structure are also considered.

show abstract

Section: Introductionmentioning

confidence: 99%

Characteristics studies of molecular structures in drugs

Gao

Wang

Basavanagoud

et al. 2017

Saudi Pharmaceutical Journal

View full text Add to dashboard Cite

show abstract

“…Recently the Wiener indices for the following structures have been reported in the work of Quadras et al: (1) Circum‐naphthalenes( n ), (2) Circum‐anthracenes( n ), (3) Circum‐tetracenes( n ), (4) Circum‐pentacenes( n ), (5) Circum‐hexacenes( n ), (6) Circum‐pyrenes( n ), (7) Circum‐trizenes( n ), (8) Circum‐123454321‐ C 120( n ), (9) Circum‐12321‐ C 64( n ), (10) Circum‐1234321‐ C 90( n ), (11) Circum‐321‐ C 52( n ), (12) Circum‐peri‐32‐ C 47( n ), (13) Circum‐33‐ C 52( n ), (14) Circum‐411‐ C 58( n ), (15) Circum‐41‐ C 53( n ), and (16) Circum‐222‐1‐ C 52( n ). But we now notice that the first 13 structures are respectively equivalent to (1) B T (2 n + 2, n , n ), (2) B T (2 n + 3, n , n ), (3) B T (2 n + 4, n , n ), (4) B T (2 n + 5, n , n ), (5) B T (2 n + 6, n , n ), (6) B T (2 n + 2, n + 1, n + 1), (7) B T (2 n + 2, n , n + 1), (8) B T (2 n + 5, n + 4, n + 4), (9) B T (2 n + 3, n + 2, n + 2), (10) B T (2 n + 4, n + 3, n + 3), (11) B T (2 n + 3, n + 2, n ), (12) B T (2 n + 3, n + 1, n ), and (13) B S ( n + 3, n , n + 1, n + 1, n ).…”

Section: Distance‐based Topological Indicesmentioning

confidence: 99%

Analytical expressions for topological properties of polycyclic benzenoid networks

Arockiaraj¹,

Clement²,

Balasubramanian

2016

Journal of Chemometrics

Self Cite

View full text Add to dashboard Cite

Quantitative structure-activity and structure-property relationships of complex polycyclic benzenoid networks require expressions for the topological properties of these networks. Structure-based topological indices of these networks enable prediction of chemical properties and the bioactivities of these compounds through quantitative structure-activity and structure-property relationships methods. We consider a number of infinite convex benzenoid networks that include polyacene, parallelogram, trapezium, triangular, bitrapezium, and circumcorone series benzenoid networks. For all such networks, we compute analytical expressions for both vertex-degree and edge-based topological indices such as edge-Wiener, vertex-edge Wiener, vertex-Szeged, edge-Szeged, edge-vertex Szeged, total-Szeged, Padmakar-Ivan, Schultz, Gutman, Randić, generalized Randić, reciprocal Randić, reduced reciprocal Randić, first Zagreb, second Zagreb, reduced second Zagreb, hyper Zagreb, augmented Zagreb, atom-bond connectivity, harmonic, sum-connectivity, and geometric-arithmetic indices. In addition we have obtained expressions for these topological indices for 3 types of parallelogram-like polycyclic benzenoid networks. KEYWORDSconvex polycyclic benzenoid networks, cut method, QSAR of polycyclic aromatics, topological indices 1 682

show abstract

“…The Some following indices like PI index PI(G), and Sd index Sd(G) were generated using the first derivatives of Omega, Theta polynomials. In QSPR/QSAR investigations, a topological index known as the PI index was associated with the Szeged and Wiener indices and used as a well qualified parameter [39][40][41][42][43][44].…”

Section: Introductionmentioning

confidence: 99%

Quantitative Structural Edge-version Topological Descriptors for Boric Acid Graphite Structure

Santiago

2022

Preprint

View full text Add to dashboard Cite

A quantitative structural analysis was carried out to predict the physical properties of boric acid structure. A topological descriptor of chemical molecule structure is a numerical value that distinguishes between a base structure and its branching pattern in the knowledge of chemical, physical, and biological aspects of molecular structure. In modern chemistry, theoretical chemistry, pharmacology, toxicology, and environmental chemistry, a large number of numerical graph invariants (topological indices) have been established and used for correlation analysis. In this paper, edge-version of distance based topological descriptors like edge Wiener, edge Szeged, edge PI and vertex-edge Wiener are computed for the structure of boric acid graphite sheet and Theta, Omega, Sd and PI polynomials and their subsequent topological indices for boric acid graphite structure are quantified. Further, using Theta and Omega polynomials, we devise a new approach for calculating the PI and Sd indices.

show abstract

Analytical expressions for Wiener indices of n-circumscribed peri-condensed benzenoid graphs

Cited by 12 publications

References 20 publications

Characteristics studies of molecular structures in drugs

Characteristics studies of molecular structures in drugs

Analytical expressions for topological properties of polycyclic benzenoid networks

Quantitative Structural Edge-version Topological Descriptors for Boric Acid Graphite Structure

Contact Info

Product

Resources

About