QSPR Modeling with Topological Indices of Some Potential Drugs against Cancer

References

• S. M. Hosamani, D. Perigidad, S. Jamagoud, Y. Maled, and S. Gavade, “QSPR Analysis of Certain Degree Based Topological Indices,” Journal of Applied Probability and Statistics 6 (2017): 1–11. doi:10.18576/jsap/060211
   Google Scholar
• C. Hoede and X. Li, “Clique Polynomials and Independent Set Polynomials of Graphs,” Discrete Mathematics 25 (1994): 219–28.
   Google Scholar
• M. N. Husin and A. Ariffin, “A on the Edge Version of Topological Indices for Certain Networks,” Italian Journal of Pure and Applied Mathematics 47 (2022): 550–64.
   Google Scholar
• M. N. Husin, S. Zafar, and R. U. Gobithaasan, “Investigation of Atom-Bond Connectivity Indices of Line Graphs Using Subdivision Approach,” Mathematical Problems in Engineering 2022 (2022): 6219155.
   Web of Science ®Google Scholar
• R. Jenke, N. Reßing, F. K. Hansen, A. Aigner, and T. Büch, “Anticancer Therapy with HDAC Inhibitors: Mechanism-Based Combination Strategies and Future Perspectives,” Cancers 13, no. 4 (2021): 634. doi:10.3390/cancers13040634
   PubMed Web of Science ®Google Scholar
• S. Klavzar and E. Deutsch, “M-Polynomial and Degree-Based Topological Indices,” Iranian Journal of Mathematical Chemistry 6, no. 2 (2015): 93–102.
   Web of Science ®Google Scholar
• J. Liu, M. Arockiaraj, M. Arulperumjothi, and S. Prabhu, “Distance Based and Bond Additive Topological Indices of Certain Repurposed Antiviral Drug Compounds Tested for Treating COVID 19,” International Journal of Quantum Chemistry 121, no. 10 (2021): e26617. doi:10.1002/qua.26617
   PubMed Web of Science ®Google Scholar
• A. Modabish, M. N. Husin, A. Q. Alameri, H. Ahmed, M. Alaeiyan, M. R. Farahani, and M. Cancan, ” “Enumeration of Spanning Trees in a Chain of Diphenylene Graphs,” Journal of Discrete Mathematical Sciences and Cryptography 25, no. 1 (2022): 241–51. doi:10.1080/09720529.2022.2038931
   Web of Science ®Google Scholar
• N. Idrees, M. Saif, A. Rauf, and S. Mustafa, “First and Second Zagreb Eccentricity Indices of Thorny Graphs,” Symmetry 9, no. 1 (2017): 7. http://www.mdpi.com/journal/symmetry. doi:10.3390/sysm901007
   Google Scholar
• M. C. Shanmukha, N. S. Basavarajappa, 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
• M. I. Sowaity, M. Pavithra, B. Sharada, and A. M. Naji, “Eccentric Harmonic Index of a Graph,” Arab Journal of Basic and Applied Sciences 26, no. 1 (2019): 497–501. doi:10.1080/25765299.2019.1688914
   Google Scholar
• S. Ahtsham Ul Haq Bokhary, A. Muhammad Kamran Siddiqui, and M. Cancan, “On Topological Indices and QSPR Analysis of Drugs Used for the Treatment of Breast Cancer,” Polycyclic Aromatic Compounds 42 (2021): 1–21. doi:10.1080/10406638.2021.1977353
   Web of Science ®Google Scholar
• D. B. West, An Introduction to Graph Theory (Hoboken, NJ: PrenticeHall, 1996).
   Google Scholar
• E. Deutsch and S. Klavzar, “Computing Hosoya Polynomials of Graphs from Primary Subgraphs,” MATCH Communications in Mathematical and in Computer Chemistry 70 (2013): 627–44.
   Web of Science ®Google Scholar
• M. Eliasi and A. Iranmanesh, “Hosoya Polynomial of Hierarchical Product of Graphs,” MATCH Communications in Mathematical and in Computer Chemistry 69 (2013): 111–9.
   Web of Science ®Google Scholar
• H. Hosoya, “On Some Counting Polynomials in Chemistry,” Discrete Applied Mathematics 19, no. 1–3 (1988): 239–57. doi:10.1016/0166-218X(88)90017-0
   Web of Science ®Google Scholar
• X. Lin, S. J. Xu, and Y. N. Yeh, “Hosoya Polynomials of Circumcoronene Series,” MATCH Communications in Mathematical and in Computer Chemistry 69 (2013): 755–63.
   Web of Science ®Google Scholar
• H. Wiener, “Structural Determination of Paraffin Boiling Points,” Journal of the American Chemical Society 69, no. 1 (1947): 17–20. doi:10.1021/ja01193a005
   PubMed Web of Science ®Google Scholar
• M. Alaeiyan, A. Bahrami, and M. R. Farahani, “Cyclically Domination Polynomial of Molecular Graph of Some Nanotubes,” Digest Journal of Nanomaterials and Biostructures 6, no. 1 (2011): 143–7.
   Web of Science ®Google Scholar
• F. Asif, Z. Zahid, M. N. Husin, M. Cancan, Z. Taş, M. Alaeiyan, and M. R. Farahani, “On Sombor Indices of Line Graph of Silicate Carbide,” Journal of Discrete Mathematical Sciences and Cryptography 25, no. 1 (2022): 301–10. doi:10.1080/09720510.2022.2043621
   Web of Science ®Google Scholar
• A. C. Bartlett, C. V. Hollot, and H. Lin, “Root Locations of an Entire Polytope of Polynomials: it Suffices to Check the Edges,” Mathematics of Control, Signals, and Systems 1, no. 1 (1988): 61–71. doi:10.1007/BF02551236
   Google Scholar
• J. I. Brown, K. Dilcher, and R. J. Nowakowski, “Roots of Independence Polynomials of Well-Covered Graphs,” Journal of Algebraic Combinatorics 11, no. 3 (2000): 197–210. doi:10.1023/A:1008705614290
   Web of Science ®Google Scholar
• J. I. Brown, C. A. Hickman, and R. J. Nowakowski, “On the Location of Roots of Independence Polynomials,” Journal of Algebraic Combinatorics 19, no. 3 (2004): 273–82. doi:10.1023/B:JACO.0000030703.39946.70
   Web of Science ®Google Scholar
• J. I. Brown and R. Nowakowski, “Average Independence Polynomials,” Journal of Combinatorial Theory, Series B 93, no. 2 (2005): 313–8. doi:10.1016/j.jctb.2004.10.001
   Web of Science ®Google Scholar
• J. I. Brown and R. Nowakowski, “Bounding the Roots of Independence Polynomials,” Ars Combinatorica 58 (2001): 113–20.
   Web of Science ®Google Scholar
• ChemSpider. “Search and Share Chemistry.” 2021. http://www.Chemspider.com/About us.aspx
   Google Scholar
• F. Chaudhry, M. N. Husin, F. Afzal, D. Afzal, M. Ehsan, M. Cancan, and M. R. Farahani, “M-Polynomial and Degree-Based Topological Indices of Tadpole Graph,” Journal of Discrete Mathematical Sciences and Cryptography 24, no. 7 (2021): 2059–72. doi:10.1080/09720529.2021.1984561
   Web of Science ®Google Scholar
• V. Consonni, D. Ballabio, and R. Todeschini, “Comments on the Definition of the Q2 Parameter for QSAR Validation,” Journal of Chemical Information and Modeling 49, no. 7 (2009): 1669–78. doi:10.1021/ci900115y
   PubMed Web of Science ®Google Scholar
• D. C. Fisher and A. E. Solow, “Dependence Polynomials,” Discrete Mathematics 82, no. 3 (1990): 251–8. doi:10.1016/0012-365X(90)90202-S
   Web of Science ®Google Scholar
• W. Gao, M. N. Husin, M. R. Farahani, and M. Imran, “On the Edge Version of Atom-Bond Connectivity Index of Nanotubes,” Journal of Computational and Theoretical Nanoscience 13, no. 10 (2016): 6733–40. doi:10.1166/jctn.2016.5621
   Google Scholar
• W. Gao, M. N. Husin, M. R. Farahani, and M. Imran, “On the Edge Version of Atom-Bond Connectivity and Geometric Arithmetic Indices of Nanocones CNCK[n],” Journal of Computational and Theoretical Nanoscience 13, no. 10 (2016): 6741–6. doi:10.1166/jctn.2016.5622
   Google Scholar
• I. Gutman, “Some Analytic Properties of the Independence and Matching Polynomials,” MATCH Communications in Mathematical and in Computer Chemistry 28 (1992): 139–50.
   Google Scholar
• S. Hammed, M. N. Husin, F. Afzal, H. Hussain, D. Afzal, M. R. Farahani, and M. Cancan, “On Computation of Newly Defined Degree-Based Topological Invariants of Bismuth Triiodide via M-Polynomial,” Journal of Discrete Mathmaitical Sciences and Cryptography 24, no. 7 (2021): 2023–91.
   Web of Science ®Google Scholar
• O. C. Havare, “Topological Indices and QSPR Modeling of Some Novel Drugs Used in the Cancer Treatment,” International Journal of Quantum Chemistry 121, no. 24 (2021): e26813. doi:10.1002/qua.26813
   Web of Science ®Google Scholar
• K. K. W. To and L. W. Fu, “CUDC-907, a Dual HDAC and PI3K Inhibitor, Reverses Platinum Drug Resistance, Investig,” Investigational New Drugs 36, no. 1 (2018): 10–9. doi:10.1007/s10637-017-0501-9
   PubMed Web of Science ®Google Scholar
• PubChem, an open chemistry database at the National Institutes of Health (NIH). 2021. https://pubchem.ncbi.nlm.nih.gov/
   Google Scholar
• L. E. Tavera-Mendoza, T. D. Quach, B. Dabbas, J. Hudon, X. Liao, A. Palijan, J. L. Gleason, and J. H. White, ” “Incorporation of Histone Deacetylase Inhibition into the Structure of a Nuclear Receptor Agonist,” Proceedings of the National Academy of Sciences of the United States of America 105, no. 24 (2008): 8250–5. doi:10.1073/pnas.0709279105
   PubMed Web of Science ®Google Scholar