Skip to content
GraphTheory.in

Micheal Arockiaraj

Loyola CollegeIN
ORCID0000-0002-4457-1046
h-index
30

via OpenAlex

Citations
2,291

via OpenAlex

Publications
134

About

Micheal Arockiaraj is a researcher affiliated with Loyola College. With over 90 publications spanning from 2022 to 2026, his work focuses on graph theory and its applications in various fields, including materials science and chemistry. His research explores the intersection of topological indices, entropy measures, and energy predictions, often using computational tools like ChemGraphX.

Research areas

  • Chemistry
  • Mathematics
  • Combinatorics
  • Computer science
  • Topology (electrical circuits)

Publications (134)

Sorted by most cited.

  1. Topological Indices and Their Applications to Circumcised Donut Benzenoid Systems, Kekulenes and Drugs

    Polycyclic Aromatic Compounds1970journal article

    View DOI
    115 cites

  2. Novel molecular hybrid geometric-harmonic-Zagreb degree based descriptors and their efficacy in QSPR studies of polycyclic aromatic hydrocarbons

    SAR and QSAR in Environmental Research2023journal article

    View DOI
    92 cites

  3. Mostar indices of carbon nanostructures and circumscribed donut benzenoid systems

    International Journal of Quantum Chemistry1970journal article

    View DOI
    91 cites

  4. Topological Characterization and Graph Entropies of Tessellations of Kekulene Structures: Existence of Isentropic Structures and Applications to Thermochemistry, Nuclear Magnetic Resonance, and Electron Spin Resonance

    2021

    View DOI
    79 cites

  5. Distance based and bond additive topological indices of certain repurposed antiviral drug compounds tested for treating COVID‐19

    International Journal of Quantum Chemistry2021journal article

    View DOI
    68 cites

  6. Linear versus cubic regression models for analyzing generalized reverse degree based topological indices of certain latest corona treatment drug molecules

    International Journal of Quantum Chemistry2023journal article

    View DOI
    67 cites

  7. Multiplicative versus scalar multiplicative degree based descriptors in QSAR/QSPR studies and their comparative analysis in entropy measures

    The European Physical Journal Plus2023journal article

    View DOI
    62 cites

  8. Analytical expressions for topological properties of polycyclic benzenoid networks

    Journal of Chemometrics1970journal article

    View DOI
    57 cites

  9. Degree-based entropies of graphene, graphyne and graphdiyne using Shannon’s approach

    2022

    View DOI
    56 cites

  10. Weighted Mostar indices as measures of molecular peripheral shapes with applications to graphene, graphyne and graphdiyne nanoribbons

    SAR and QSAR in Environmental Research2020journal article

    View DOI
    56 cites

  11. Edge Distance-based Topological Indices of Strength-weighted Graphs and their Application to Coronoid Systems, Carbon Nanocones and SiO<inf>2</inf> Nanostructures

    Molecular Informatics1970journal article

    View DOI
    51 cites

  12. Topological characterization and entropy measures of tetragonal zeolite merlinoites

    2022

    View DOI
    46 cites

  13. Molecular topological characterization of three classes of polycyclic aromatic hydrocarbons

    2020

    View DOI
    46 cites

  14. QSPR Analysis of Distance-Based Structural Indices for Drug Compounds in Tuberculosis Treatment

    OpenAlex2024other

    View DOI
    44 cites

  15. Two-dimensional coronene fractal structures: topological entropy measures, energetics, NMR and ESR spectroscopic patterns and existence of isentropic structures

    Molecular Physics2022journal article

    View DOI
    44 cites

  16. Relativistic distance-based topological descriptors of Linde type A zeolites and their doped structures with very heavy elements

    Molecular Physics2021journal article

    View DOI
    44 cites

  17. Embedding hypercubes into cylinders, snakes and caterpillars for minimizing wirelength

    Discrete Applied Mathematics1970journal article

    View DOI
    44 cites

  18. Relativistic distance based and bond additive topological descriptors of zeolite RHO materials

    2021

    View DOI
    41 cites

  19. Quantitative structural descriptors of sodalite materials

    2020

    View DOI
    41 cites

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

    2022

    View DOI
    40 cites

  21. Comparative Analysis of Reverse Degree and Entropy Topological Indices for Drug Molecules in Blood Cancer Treatment through QSPR Regression Models

    2023

    View DOI
    38 cites

  22. Topological Entropy Characterization, NMR and ESR Spectral Patterns of Coronene-Based Transition Metal Organic Frameworks

    ACS Omega2023journal article

    View DOI
    38 cites

  23. Linear Wirelength of Folded Hypercubes

    Mathematics in Computer Science1970journal article

    View DOI
    38 cites

  24. Embeddings of circulant networks

    Journal of Combinatorial Optimization1970journal article

    View DOI
    37 cites

  25. Wirelength of 1-fault hamiltonian graphs into wheels and fans

    Information Processing Letters1970journal article

    View DOI
    37 cites

  26. Distance-based topological indices of nanosheets, nanotubes and nanotori of SiO <inf>2</inf>

    Journal of Mathematical Chemistry1970journal article

    View DOI
    33 cites

  27. Entropy structural characterization of zeolites BCT and DFT with bond-wise scaled comparison

    OpenAlex2023other

    View DOI
    32 cites

  28. Relativistic topological molecular descriptors of metal trihalides

    2020

    View DOI
    31 cites

  29. Wirelength of hypercubes into certain trees

    Discrete Applied Mathematics1970journal article

    View DOI
    31 cites

  30. Vertex cut method for degree and distance-based topological indices and its applications to silicate networks

    Journal of Mathematical Chemistry1970journal article

    View DOI
    30 cites

  31. Topological characterization of hexagonal and rectangular tessellations of kekulenes as traps for toxic heavy metal ions

    2021

    View DOI
    28 cites

  32. Two-dimensional phthalocyanine frameworks: Topological descriptors, predictive models for physical properties and comparative analysis of entropies with different computational methods

    2024

    View DOI
    24 cites

  33. Comparative study of degree, neighborhood and reverse degree based indices for drugs used in lung cancer treatment through QSPR analysis

    2025

    View DOI
    23 cites

  34. Hyper-Wiener and Wiener polarity indices of silicate and oxide frameworks

    Journal of Mathematical Chemistry1970journal article

    View DOI
    23 cites

  35. Mathematical modeling for prediction of physicochemical characteristics of cardiovascular drugs via modified reverse degree topological indices

    The European Physical Journal E2024journal article

    View DOI
    22 cites

  36. On Certain Topological Indices of Three-Layered Single-Walled Titania Nanosheets

    Combinatorial Chemistry & High Throughput Screening2022journal article

    View DOI
    22 cites

  37. Comparative analysis of scaled entropies and topological properties of triphenylene-based metal and covalent organic frameworks

    Chemical Papers2024journal article

    View DOI
    21 cites

  38. Refined degree bond partitions, topological indices, graph entropies and machine-generated boron NMR spectral patterns of borophene nanoribbons

    Journal of Molecular Structure1970journal article

    View DOI
    20 cites

  39. Relativistic topological and spectral characteristics of zeolite SAS structures

    2022

    View DOI
    19 cites

  40. Molecular structural characterization of superphenalene and supertriphenylene

    International Journal of Quantum Chemistry2022journal article

    View DOI
    19 cites

  41. Topological Properties of Carbon Nanocones

    Polycyclic Aromatic Compounds1970journal article

    View DOI
    19 cites

  42. Topological properties, entropies, stabilities and spectra of armchair versus zigzag coronene-like nanoribbons

    Molecular Physics2022journal article

    View DOI
    18 cites

  43. Covalent organic frameworks: topological characterizations, spectral patterns and graph entropies

    2023

    View DOI
    17 cites

  44. Partition dimension of certain classes of series parallel graphs

    Theoretical Computer Science1970journal article

    View DOI
    17 cites

  45. Topological Characterization of the Full k-Subdivision of a Family of Partial Cubes and Their Applications to α-Types of Novel Graphyne and Graphdiyne Materials

    Polycyclic Aromatic Compounds1970journal article

    View DOI
    17 cites

  46. Minimum wirelength of hypercubes into n-dimensional grid networks

    Information Processing Letters1970journal article

    View DOI
    16 cites

  47. Zeolite AST: Relativistic degree and distance based topological descriptors

    2022

    View DOI
    15 cites

  48. On certain topological indices of octahedral and icosahedral networks

    IET Control Theory and Applications1970journal article

    View DOI
    15 cites

  49. Topological Characterization of Coronoid Polycyclic Aromatic Hydrocarbons

    Polycyclic Aromatic Compounds1970journal article

    View DOI
    15 cites

  50. Embedding hypercubes and folded hypercubes onto Cartesian product of certain trees

    Discrete Optimization1970journal article

    View DOI
    15 cites

  51. Degree based hybrid topological indices and entropies of hydrogen bonded benzo-trisimidazole frameworks

    2024

    View DOI
    14 cites

  52. Topological and Spectral Properties of Wavy Zigzag Nanoribbons

    Molecules2022journal article

    View DOI
    14 cites

  53. Total-szeged index of C<inf>4</inf>-nanotubes, C<inf>4</inf>-nanotori and dendrimer nanostars

    Journal of Computational and Theoretical Nanoscience1970journal article

    View DOI
    14 cites

  54. Node set optimization problem for complete Josephus cubes

    Journal of Combinatorial Optimization1970journal article

    View DOI
    13 cites

  55. A linear time algorithm for embedding locally twisted cube into grid network to optimize the layout

    Discrete Applied Mathematics1970journal article

    View DOI
    13 cites

  56. Comparative study of degree and neighborhood degree sum-based topological indices for predicting physicochemical properties of skin cancer drug structures

    Modern Physics Letters B2025journal article

    View DOI
    12 cites

  57. Distance based topological characterization, graph energy prediction, and NMR patterns of benzene ring embedded in P-type surface in 2D network

    2024

    View DOI
    12 cites

  58. Guanidinium and hydrogen carbonate rosette layers: Distance and degree topological indices, Szeged-type indices, entropies, and NMR spectral patterns

    Heliyon2024journal article

    View DOI
    12 cites

  59. Linear layout of locally twisted cubes

    International Journal of Computer Mathematics1970journal article

    View DOI
    12 cites

  60. Network topology and entropy analysis of tetragonal farneseite zeolites

    2025

    View DOI
    11 cites

  61. Predictive modeling of molecular interaction energies using topological and spectral entropies of zeolite AWW

    2025

    View DOI
    11 cites

  62. Comparative Study of Entropies in Silicate and Oxide Frameworks

    2024

    View DOI
    11 cites

  63. Embedding algorithm of spined cube into grid structure and its wirelength computation

    2021

    View DOI
    11 cites

  64. Modified reverse degree descriptors for combined topological and entropy characterizations of 2D metal organic frameworks: applications in graph energy prediction

    2024

    View DOI
    10 cites

  65. Degree Descriptors and Graph Entropy Quantities of Zeolite ACO

    2023

    View DOI
    10 cites

  66. Optimal Wirelength of Balanced Complete Multipartite Graphs onto Cartesian Product of {Path, Cycle} and Trees

    2021

    View DOI
    10 cites

  67. Predicting graph energy and entropy analysis of pent-heptagonal nanomaterials: Insights from regression models using generalized reverse degree-sum topological indices

    Materials Today Communications2024journal article

    View DOI
    9 cites

  68. Topological descriptors, entropy measures and NMR spectral predictions for nanoporous graphenes with [14]annulene pores

    International Journal of Quantum Chemistry2024journal article

    View DOI
    9 cites

  69. Szeged-Like Topological Indices and the Efficacy of the Cut Method: The Case of Melem Structures

    2022

    View DOI
    9 cites

  70. On the optimal layout of balanced complete multipartite graphs into grids and tree related structures

    2020

    View DOI
    8 cites

  71. Topological indices of the subdivision of a family of partial cubes and computation of SiO <inf>2</inf> related structures

    Journal of Mathematical Chemistry1970journal article

    View DOI
    8 cites

  72. Wirelength of enhanced hypercube into windmill and necklace graphs

    Mathematics1970journal article

    View DOI
    8 cites

  73. Circular wirelength of generalized petersen graphs

    Journal of Interconnection Networks1970journal article

    View DOI
    8 cites

  74. Computational insights and predictive models for lung cancer molecular structures

    Chemical Papers2025journal article

    View DOI
    7 cites

  75. Several distance and degree-based molecular structural attributes of cove-edged graphene nanoribbons

    2024

    View DOI
    7 cites

  76. Cyclooctane chains: mathematical expected values based on atom degree and sum-degree of Zagreb, harmonic, sum-connectivity, and Sombor descriptors

    2023

    View DOI
    7 cites

  77. Relativistic structural characterization of molybdenum and tungsten disulfide materials

    2020

    View DOI
    7 cites

  78. Variants of the Szeged index in certain chemical nanosheets

    Canadian Journal of Chemistry1970journal article

    View DOI
    7 cites

  79. Mathematical techniques for graph descriptors, entropies, spectra, and properties of oxalate-based metal organic frameworks

    2024

    View DOI
    6 cites

  80. Second Zagreb and Sigma Indices of Semi and Total Transformations of Graphs

    Complexity2021journal article

    View DOI
    6 cites

  81. Conjectures on wirelength of hypercube into cylinder and torus

    Theoretical Computer Science1970journal article

    View DOI
    6 cites

  82. Topological, Spectroscopic and Energetic Properties of Cycloparaphenylene Series

    Polycyclic Aromatic Compounds2024journal article

    View DOI
    5 cites

  83. Tight Bounds on 1-Harmonious Coloring of Certain Graphs

    Symmetry2019journal article

    View DOI
    5 cites

  84. Resistance distance in H-join of graphs G<inf>1</inf>,G<inf>2</inf>, . . ., G<inf>k</inf>

    Mathematics1970journal article

    View DOI
    5 cites

  85. Embedding of hypercubes into sibling trees

    Discrete Applied Mathematics1970journal article

    View DOI
    5 cites

  86. Comparative analysis of topological entropy levels in covalent organic radical frameworks and mathematical models for predicting graph energy

    Chemical Papers2025journal article

    View DOI
    4 cites

  87. A comparative study of topological entropy characterization and graph energy prediction for Marta variants of covalent organic frameworks

    2024

    View DOI
    4 cites

  88. Structural analysis of anti-cancer drug compounds using distance-based molecular descriptors and regression models

    The European Physical Journal E2025journal article

    View DOI
    3 cites

  89. Structural analysis of bond information entropy and HOMO-LUMO gap in CLO and KFI zeolites

    Journal of Molecular Structure2025journal article

    View DOI
    3 cites

  90. Wirelength of Enhanced Hypercubes into r-Rooted Complete Binary Trees

    Electronic Notes in Discrete Mathematics1970journal article

    View DOI
    3 cites

  91. Molecular descriptor-based QSPR analysis of physicochemical properties in neuromuscular drugs

    Modern Physics Letters B2025journal article

    View DOI
    2 cites

  92. Distance-based network topologies of coro-graphenes

    2025

    View DOI
    2 cites

  93. Topological information entropy and spectral energy analysis in aminal-linked covalent organic frameworks

    2025

    View DOI
    2 cites

  94. Total Face Irregularity Strength of Certain Graphs

    Mathematical Problems in Engineering2024journal article

    View DOI
    2 cites

  95. Comment on Mostar indices of SiO2 nanostructures and melem chain nanostructures

    International Journal of Quantum Chemistry2022journal article

    View DOI
    2 cites

  96. Characterization of the Congestion Lemma on Layout Computation

    2021

    View DOI
    2 cites

  97. Minimum Linear Arrangement of the Cartesian Product of Optimal Order Graph and Path

    2021

    View DOI
    2 cites

  98. Wiener Polarity Index Calculation of Square-Free Graphs and Its Implementation to Certain Complex Materials

    Mathematical Problems in Engineering2021journal article

    View DOI
    2 cites

  99. Computing total-szeged index of nanostar dendrimer NSC<inf>5</inf>C <inf>6</inf>

    Journal of Computational and Theoretical Nanoscience1970journal article

    View DOI
    2 cites

  100. Face-degree and reverse-degree topological indices for quantitative structure property predictions of benzenoid hydrocarbons

    Chemical Papers2026journal article

    View DOI
    1 cites

  101. Applications of Sombor topological indices and entropy measures for QSPR modeling of anticancer drugs: a Python-based methodology

    2025

    View DOI
    1 cites

  102. Topological entropy indices and energy prediction modeling of zeolite PWN

    2025

    View DOI
    1 cites

  103. Topological Characterization and Predictive Modeling of Graph Energy in Ionic Covalent Organic Frameworks

    2025

    View DOI
    1 cites

  104. Topological and Entropy Indices in Qspr Studies of N-Carbophene Covalent Organic Frameworks

    2024

    View DOI
    1 cites

  105. A Survey on the Generalized Partition Method and Its Applications in Theoretical Sciences

    Reviews in Theoretical Science2014journal article

    View DOI
    1 cites

  106. Wiener, Szeged and vertex PI indices of regular tessellations

    Iranian Journal of Mathematical Chemistry2012journal article

    View DOI
    1 cites

  107. Minimum layout of circulant graphs into certain height balanced trees

    Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)1970book

    View DOI
    1 cites

  108. Optimal embedding of locally twisted cubes into grids

    Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)1970book

    View DOI
    1 cites

  109. Wirelength of circulant network into nanostar dendrimer

    Journal of Computational and Theoretical Nanoscience1970journal article

    View DOI
    1 cites

  110. Layout of embedding circulant networks into linear hexagons and phenylenes

    Journal of Interconnection Networks1970journal article

    View DOI
    1 cites

  111. Correction: Arockiaraj et al. Topological and Spectral Properties of Wavy Zigzag Nanoribbons. <i>Molecules</i> 2023, <i>28</i>, 152

    Molecules2026journal article

    View DOI
    0 cites

  112. Combined QSAR/QSPR, cluster modelling and docking studies of 1,3,4 oxadiazoles as anticancer drugs

    2026

    View DOI
    0 cites

  113. ChemGraphX: an open-source web tool for computing topological indices and entropy measures

    2026

    View DOI
    0 cites

  114. Graph theoretical characterization and QSPR modeling of aluminum and magnesium hydroxide networks through integrated face degree topological indices

    The European Physical Journal E2026journal article

    View DOI
    0 cites

  115. Face Degree Indices and Graph Energies: Structural Studies on Silicate and Oxide Networks

    2025

    View DOI
    0 cites

  116. Corrigendum to “Several distance and degree-based molecular structural attributes of cove-edged graphene nanoribbons” [Heliyon Volume 10, Issue 15, August 2024, Article e34944]

    2025

    View DOI
    0 cites

  117. Linear model based on neighborhood ABS index for graph energy in benzenoid hydrocarbons and maximum index cactus graphs

    2025

    View DOI
    0 cites

  118. Graph Theoretical Characterization and QSPR Modeling of Aluminum and Magnesium Hydroxide Networks through Integrated Face Degree Topological Indices

    2025

    View DOI
    0 cites

  119. Degree-based topological insights and graph entropies of Kagome lattice covalent organic frameworks

    Chemical Papers2025journal article

    View DOI
    0 cites

  120. Correction to: Topological characterization of hexagonal and rectangular tessellations of kekulenes as traps for toxic heavy metal ions

    2021

    View DOI
    0 cites

  121. Minimum layout of hypercubes and folded hypercubes into the prism over caterpillars

    2021

    View DOI
    0 cites

  122. Exact Wirelength of Circulant Networks into Cycle-of-ladders.

    2017

    0 cites

  123. Embedding of Hypercubes into Generalized Books.

    2017

    0 cites

  124. Transparency Minimization in Manet using Enhanced Oblique Protection Algorithm

    2015

    View DOI
    0 cites

  125. Application of Data Mining Technique in Invasion Recognition

    2014

    View DOI
    0 cites

  126. Vertex decomposition method for wirelength problem and its applications to enhanced hypercube networks

    IET Computers and Digital Techniques1970journal article

    View DOI
    0 cites

  127. Embedding of hypercubes into generalized books

    Ars Combinatoria1970journal article

    0 cites

  128. Exact wirelength of circulant networks into cycle-of-ladders

    Ars Combinatoria1970journal article

    0 cites

  129. Layout of embedding locally twisted cube into the extended theta mesh topology

    Electronic Notes in Discrete Mathematics1970journal article

    View DOI
    0 cites

  130. Extended cut method for edge wiener, schultz and gutman indices with applications

    Match1970journal article

    0 cites

  131. Linear Layout of Directed Grid Graph

    Mathematics in Computer Science1970journal article

    View DOI
    0 cites

  132. Wirelength of circulant networks into cycle-of-triangles

    International Journal of Pure and Applied Mathematics1970journal article

    0 cites

  133. Minimally k-equitable labeling of butterfly and benes networks

    Journal of Combinatorial Mathematics and Combinatorial Computing1970journal article

    0 cites

  134. Minimally k-equitable labeling of Butterfly and Benes networks

    Journal of Combinatorial Mathematics and Combinatorial Computing1970journal article

    0 cites