On Properties of Distance-Based Entropies on Fullerene Graphs

Ghorbani, Modjtaba; Dehmer, Matthias; Rajabi-Parsa, Mina; Mowshowitz, Abbe; Emmert‐Streib, Frank

doi:10.3390/e21050482

Cited by 15 publications

(9 citation statements)

References 34 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…And most recently, Dehmer and Mowshowitz [26] released an up-to-date overview of graph entropy measurements. It is important to note that other graph entropy measurements have been created; for more information, see [27,28,29,30]. In order to apply a probability distribution to a network, for instance, partitions based on various graph invariants, such as vertices, edges, and distances, have been utilized.…”

Section: Literaturementioning

confidence: 99%

See 1 more Smart Citation

General vertex-degree-based topological indices of Graphene Oxide (C 140 H 42 O 20 ) graphs with advanced entropies

Kamran,

Salamat,

Nadeem

et al. 2024

Preprint

View full text Add to dashboard Cite

Nanomaterials have been widely used in a number of sectors during the past few decades, including electronics, pharmaceuticals , cosmetics, food processing, construction, and aeronautics. These nanomaterials may improve approaches for therapy, diagnosis, and prevention in the medical field. Graphene oxide (GO), an oxidised derivative of graphene, is now used in biotechnology and medicine for the treatment of cancer, drug delivery, and cellular imaging. Large surface area, electrical charge, and nanoscale size are other physicochemical properties of GO. The factors that are crucial for QSAR and QSPR analyses are topological indices. Shannon’s entropy measures, which characterise graphs by looking at the structure information of graphs and networks, are the primary type of topological indices now in use.Graph theory, biology, and chemistry are just a few of the disciplines that employ the graph entropy measurements. Two examples of thermodynamic entropy utilised in the molecular dynamics research of complicated chemical systems are the configuration entropy of glass-forming liquids or the thermodynamic entropy of enzyme-substrate complexations. In this paper, several degree-based entropies calculated using topological indices. The required outcomes were obtained by combining curve fitting between determined information entropies and topological indices with numerical and graphical representations of computed findings. Learn about the entropy-based symmetry analysis of the topological indices. The system is based on topological indices, which offer a thorough overview of all potentially important factors that may be important in structurally changing (C140H42O20) for certain applications. Mathematics Subject Classification: 05C09, 05C92, 05C07, 92E10

show abstract

Section: Literaturementioning

confidence: 99%

“…We acquire the second index by having taken the first derivative at κ = 1, after simplifying Eqn. (28).…”

Section: Entropy For Graphene Oxidementioning

confidence: 99%

General vertex-degree-based topological indices of Graphene Oxide (C 140 H 42 O 20 ) graphs with advanced entropies

Kamran,

Salamat,

Nadeem

et al. 2024

Preprint

View full text Add to dashboard Cite

show abstract

“…For example, Basak et al introduce bond information content similar to the SIC value [5,43]. Different entropy measures relating to the topological distances in the fullerene [61][62][63][64] and dendrimer graphs [65] also demonstrate usefulness.…”

Section: Figurementioning

confidence: 99%

Information Entropy in Chemistry: An Overview

Sabirov

Shepelevich

2021

Entropy

View full text Add to dashboard Cite

Basic applications of the information entropy concept to chemical objects are reviewed. These applications deal with quantifying chemical and electronic structures of molecules, signal processing, structural studies on crystals, and molecular ensembles. Recent advances in the mentioned areas make information entropy a central concept in interdisciplinary studies on digitalizing chemical reactions, chemico-information synthesis, crystal engineering, as well as digitally rethinking basic notions of structural chemistry in terms of informatics.

show abstract

“…Clearly, the automorphism group of F 16n for n ≥ 3 can be computed similarly. If α denotes the rotation of the F 16n through an angle of 90 • around an axis through the midpoints of the front and back faces, then the corresponding permutation is α = (1, 3, 5, 7) (2, 4, 6, 8)(9, 15, 26, 21) (10,16,27,32) (11,17,28,22) (12,18,29,23) (13,19,30,24) (14,20,31,25) (33,45,41,37) (34,46,42,38) (35,47,43,39) (36,48,44,40). Thus the orbit of the subgroup α is 1 α = {1, 3, 5, 7}.…”

Section: Examplementioning

confidence: 99%