QSPR Analysis of the Generalized Irregular Neighborhood Valency Descriptor of Some Basic Polycyclic Aromatic Hydrocarbons

References

• F. Harary, Graph Theory, (Boca Raton: Addison Wesley, 1969).
   Google Scholar
• I. Gutman, and O. E. Polansky, Mathematical Concepts in Organic Chemistry, (Berlin: Springer, 1986).
   Google Scholar
• R. Todeschini, and V. Consonni, Molecular Descriptors for Chemoinformatics, (Weinheim: Wiley–VCH, 2009).
   Google Scholar
• N. Trinajstic, Chemical Graph Theory, (Boca Raton: Taylor & Francis Ltd, 1991).
   Google Scholar
• V. R. Kulli, “Graph Indices,” In Hand Book of Research on Advanced Applications of Graph Theory in Modern Society, edited by M. Pal. S. Samanta and A. Pal, (USA: IGI Global, 2019), 66–91.
   Google Scholar
• Abdulazeez T. Lawal, “Polycyclic Aromatic Hydrocarbons. A Review, Polycycl,” Cogent Environmental Science 3, no. 1 (2017): 1339841. doi:10.1080/23311843.2017.1339841
   Web of Science ®Google Scholar
• Giuseppe. Mastrangelo, and Emanuela. Fadda, and Vita Marzia, “Polycyclic Aromatic Hydrocarbons and Cancer in Man,” Environmental Health Perspectives 104, no. 11 (1996): 1166–1170. doi:10.1289/ehp.961041166
   PubMed Web of Science ®Google Scholar
• RonaldG. Harvey, Polycyclic Aromatic Hydrocarbons: Chemistry and Carcinogenicity, (Cambridge: Cambridge University Press Archive, 1991).
   Google Scholar
• Peter H. Albers, Handbook of Ecotoxicology, (Boca Raton: CRC Press, 1991) .
   Google Scholar
• Kurt. Straif, and Robert. Baan, and Yann. Grosse, and Batrice Secretan, and Fatiha. El Ghissassi, and Vincent Cogliano, “Carcinogenicity of Polycyclic Aromatic Hydrocarbons,” The Lancet. Oncology 6, no. 12 (2005): 931–932. doi:10.1016/s1470-2045(05)70458-7
   PubMed Web of Science ®Google Scholar
• S. Mondal, N. De, and A. Pal, “On Some General Neighborhood Degree Based Indices,” International Journal of Applied Mathematics. 32 (2019): 1037–1049.
   Google Scholar
• S. Mondal, N. De, and A. Pal, “On Neighborhood Zagreb Index of Product Graphs,” Journal of Molecular Structure 1223 (2021) : 129210. doi:10.1016/j.molstruc.2020.129210
   PubMed Web of Science ®Google Scholar
• S. Mondal, N. De, and A. Pal, “On Some New Neighborhood Degree Based Indices,” Acta Chemica Iasi 27, no. 1 (2019): 31–46. doi:10.2478/achi-2019-0003
   Web of Science ®Google Scholar
• S. Mondal, N. De, and A. Pal, “On Some New Neighborhood Degree-Based Indices for Some Oxide and Silicate Networks,” Journal of. Multidisciplinary. Science2, no. 3 (2019): 384–409. doi:10.3390/j2030026
   Google Scholar
• S. Mondal, N. De, and A. Pal, “Topological Properties of Grapene Using Some Novel Neighborhood Degree Based Topological Indices,” International Journal of Mathematics for Industry 11, no. 01 (2019): 1950006. doi:10.1142/S2661335219500060
   Google Scholar
• S. Mondal, N. De, and A. Pal, “Molecular Descriptors of Neural Networks with Chemical Significance,” Revue Roumaine de Chimie 65 (2020): 1039–1052.
   Web of Science ®Google Scholar
• S. Mondal, N. De, and A. Pal, “A. Neighborhood Degree Sum-Based Molecular Descriptors of Fractal and Cayley Tree Dendrimers,” European Physical Journal Plus 136 (2021): 303.
   PubMed Web of Science ®Google Scholar
• G. Chartrand, P. Erdos, and O. Oellermann, “How to Define an Irregular Graph,” The College Mathematics Journal 19, no. 1 (1988): 36–42. doi:10.1080/07468342.1988.11973088
   Google Scholar
• F. K. Bell, “A Note on the Irregularity of Graphs,” Linear Algebra and Its Applications. 161 (1992) : 45–54. doi:10.1016/0024-3795(92)90004-T
   Web of Science ®Google Scholar
• Z. Majcher, and J. Michael, “Highly Irregular Graphs with Extreme Numbers of Edges,” Discrete Mathematics 164, no. 1-3 (1997): 237–242. doi:10.1016/S0012-365X(96)00056-8
   Web of Science ®Google Scholar
• M. O. Albertson, “The Irregularity of a Graph,” Ars Comb 46 (1997): 219–225.
   Web of Science ®Google Scholar
• I. Gutman, “Topological Indices and Irregularity Measures,” J. Bull 8 (2018) : 469–475.
   Google Scholar
• H. Abdo, S. Brandt, and D. Dimitrov, “The Total Irregularity of a Graph,” Discret. Math. Theor. Comput. Sci 16 (2014): 201–206.
   Web of Science ®Google Scholar
• W. Gao, M. Aamir, Z. Iqbal, M. Ishaq, and A. Aslam, “On Irregularity Measures of Some Dendrimers Structures,” Mathematics 7, no. 3 (2019): 271. doi:10.3390/math7030271
   Web of Science ®Google Scholar
• W. Gao, H. Abdo, and D. Dimitrov, “On the Irregularity of Somemolecular Structures,” Canadian Journal of Chemistry 95, no. 2 (2017): 174–183. doi:10.1139/cjc-2016-0539
   Web of Science ®Google Scholar
• T. Reti, R. Sharfdini, A. Dregelyi-Kiss, and H. Hagobin, “Graph Irregularity Indices Used as Molecular Discriptors in QSPR Studies,” MATCH Commun. Math. Comput. Chem 79 (2018) : 509–524.
   Web of Science ®Google Scholar
• G. H. Fath-Tabar, “Old and New Zagreb Indices of Graphs,” MATCH Commun.Math. Comput. Chem 65, no. 1 (2011): 79–84.
   Web of Science ®Google Scholar
• I. Gutman, M. Togan, A. Yurttas, A. S. Cevik, and I. N. Cangul, “Inverse Problem for Sigma Index,” MATCH Commun. Math. Comput. Chem 79 (2018) : 491–508.
   Web of Science ®Google Scholar
• V. R. Kulli, “New Irregularity Sombor Indices and New,” (a,b)−“Indices of Certain Chemical Drugs, International Journal of Mathematical Trends and Technology,” 67, no. 9 (2021): 105–113.
   Google Scholar
• V. R. Kulli, D. Vyshnavi, and B. Chaluvaraju, “Computation of (a, b)-KA Indices of Some Special Graphs,” Mathematical Combinatorics 3 (2021): 62–76.
   Google Scholar
• S. Mondal, A. Dey, N. De, and A. Pal, “QSPR Analysis of Some Novel Neighborhood Degree-Based Topological Descriptors,” Complex & Intelligent Systems 7, no. 2 (2021): 977–996. doi:10.1007/s40747-020-00262-0
   Web of Science ®Google Scholar
• X. Li, and H. Zhao, “Trees with the First Smallest and Largest Generalized Topological Indices, MATCH Commun,” Mathematics of Computation 50 (2004): 57–62.
   Google Scholar
• X. Li, and J. Zheng, “A Unified Approach to the Extremal Trees for Different Indices, MATCH Commun,” Mathematics of Computation 54 (2005): 195–208.
   Google Scholar
• I. N. Cangul, A. Yurttas, M. Togan, and A. S. Cevik, “New Formulae for Zagreb Indices, Int,” Conference. of Numerical Analysis and Applied Mathematics (ICNAAM 2016), AIP Conference Proceedings 300013 (1863): 1–5.
   Google Scholar
• I. Gutman, “Degree–Based Topological Indices,” Croatica Chemica Acta 86, no. 4 (2013): 351–361. doi:10.5562/cca2294
   Web of Science ®Google Scholar
• I. Gutman, and K. C. Das, “The First Zagreb Indices 30 Years after, MATCH Commun,” Mathematics of Computation 50 (2004): 83–92.
   Google Scholar
• I. Gutman, V. R. Kulli, B. Chaluvaraju, and H. S. Boregowda, “On Banhatti and Zagreb Indices,” Journal of International Mathematical Virtual Institute 7 (2017): 53–67.
   Google Scholar
• B. Chaluvaraju, H. S. Boregowda, and Ismail Naci. Cangul, “Some Inequalities for the First General Zagreb Index of Graphs and Line Graphs,” Proceedings of the National Academy of Sciences, India Section A: Physical Sciences 91, no. 1 (2021): 79–88. doi:10.1007/s40010-020-00679-9
   Web of Science ®Google Scholar
• M. M. Ferreira, “Polycyclic Aromatic Hydrocarbons: A QSPR Study,” Chemosphere 44, no. 2 (2001): 125–146. doi:10.1016/s0045-6535(00)00275-7
   PubMed Web of Science ®Google Scholar
• B. Saravanan, S. Prabhu, M. Arulperumjothi, K. Julietraja, and M. K. Siddiqui, “Molecular Structural Characterization of Supercorenene and Triangle-Shaped Discotic Graphene,” Polycyclic Aromatic Compounds 43, no. 3 (2023): 2080–2103. doi:10.1080/10406638.2022.2039224
   Web of Science ®Google Scholar
• B. Chaluvaraju, and Ameer. Basha Shaikh, “Different Versions of Atom-Bond Connectivity Indices of Some Molecular Structures: Applied for the Treatment and Prevention of COVID-19,” Polycycl. Aromat. Compd 42, no. 6 (2022): 3748–3761.
   Web of Science ®Google Scholar
• S. Mondal, N. De, and A. Pal, “Topological Indices of Some Chemical Structures Applied for the Treatment of COVID-19 Patients,” Polycyclic Aromatic Compound 42, no. 4 (2022): 1220-1234..
   Web of Science ®Google Scholar
• M. C. Shanmukha, and N. S. Basavarajappa, and K. C. Shilpa, and A. Usha, “Degree-Based Topological Indices on Anticancer Drugs with QSPR Analysis,” Heliyon 6, no. 6 (2020): e04235. doi:10.1016/j.heliyon.2020.e04235
   PubMed Web of Science ®Google Scholar
• Syed Ajaz K. Kirmani, and Parvez. Ali, and Faizul Azam, “Topological Indices and QSPR/QSAR Analysis of Some Antiviral Drugs Being Investigated for the Treatment of COVID-19 Patients,” International Journal of Quantum Chemistry 121, no. 9 (2021): e26594. doi:10.1002/qua.26594
   PubMed Web of Science ®Google Scholar
• D. Bonchev, O. V. Mekenyan, and N. Trinajstic “Isomer Discrimination by Topological Information Approach,” Journal of Computational Chemistry 2, no. 2 (1981): 127–148. doi:10.1002/jcc.540020202
   Web of Science ®Google Scholar
• National Center for Biotechnology Information, Pubchem (Link) (2021).
   Google Scholar
• JerryRay Dias, Handbook of Polycyclic Hydrocarbons: Benzenoid Hydrocarbons (Elsevier Science Limited, 1987).
   Google Scholar
• Hayakawa, Kazuichi Polycyclic aromatic hydrocarbons Chemistry of polycyclic aromatic hydrocarbons (PAHs), nitropolycyclic aromatic hydrocarbons (NPAHs) and other oxidative derivatives of PAHs, Polycyclic Aromatic Hydrocarbons: Environmental Behavior and Toxicity in East Asia. (Singapore: Springer, 2018), 3–10.
   Google Scholar
• Chemspider, The Royal Society of Chemistry (Link), (2020).
   Google Scholar