On Knowledge Discovery and Representations of Molecular Structures Using Topological Indices

[1] S. Alikhani1, R. Hasni, N. E. Arif, On the Atom-Bond Connectivity Index of Some Families of Dendrimers, J. Comput. Theor. Nanosci. 11(2014), 1 – 4.10.1166/jctn.2014.3309Search in Google Scholar

[2] M. Bac̆a, J. Horva′thova′, M. Mokris̆ova′, A. Suha′nyiovă, On topological indices of fullerenes, Appl. Math. Comput. 251(2015), 154 – 161.Search in Google Scholar

[3] A. Q. Baig, M. Imran, H. Ali, Computing Omega, Sadhana and PI polynomials of benzoid carbon nanotubes, Optoelectron. Adv. Mater. Rapid Communin. 9(2015), 248 – 255.Search in Google Scholar

[4] A. Q. Baig, M. Imran, H. Ali, On Topological Indices of Poly Oxide, Poly Silicate, DOX and DSL Networks, Canad. J. Chem. Accepted, in press.Search in Google Scholar

[5] M. Deza, P. W. Fowler, A. Rassat, K. M. Rogers, Fullerenes as tiling of surfaces, J. Chem. Inf. Comput. Sci. 40(2000), P550 – 558.10.1021/ci990066h10850758Search in Google Scholar

[6] M. V. Diudea, I. Gutman, J. Lorentz, Molecular Topology, Nova, Huntington, 2001.Search in Google Scholar

[7] E. Estrada, L. Torres, L. Rodrez, I. Gutman, An atom-bond connectivity index: Modelling the enthalpy of formation of alkanes, Indian J. Chem. 37A(1998), 849 – 855.Search in Google Scholar

[8] W. Gao, W. Wang, M. R. Farahani, Topological indices study of molecular structure in anticancer drugs, J. Chem. vol. 2016, Article ID 3216327, 8 pages, 2016.Search in Google Scholar

[9] M. Ghorbani, M. A. Hosseinzadeh, Computing ABC₄ index of nanostar dendrimers, Optoelectron. Adv. Mater. Rapid Commun. 4(2010), 1419 – 1422.Search in Google Scholar

[10] A. Graovac, M. Ghorbani, M. A. Hosseinzadeh, Computing fifth geometric-arithmetic index for nanostar dendrimers, J. Math. Nanosci. 1(2011), 33 – 42.Search in Google Scholar

[11] I. Gutman, O. E. Polansky, Mathematical concepts in organic chemistry, Springer-Verlag, New York, 1986.10.1007/978-3-642-70982-1Search in Google Scholar

[12] S. Hayat, M. Imran, Computation of certain topological indices of nanotubes, J. Comput. Theor. Nanosci. 12(2015), 70 – 76.10.1166/jctn.2015.3699Search in Google Scholar

[13] S. Hayat, M. Imran, Computation of certain topological indices of nanotubes covered by C5 and C7, J. Comput. Theor. Nanosci., 12(2015), 533 – 541.10.1166/jctn.2015.3761Search in Google Scholar

[14] S. Hayat, M. Imran, On some degree based topological indices of certain nanotubes, J. Comput. Theor. Nanosci. Accepted, in press.Search in Google Scholar

[15] S. Hayat, M. Imran, Computation of topological indices of certain networks, Appl. Math. Comput. 240(2014), 213 – 228.Search in Google Scholar

[16] A. Iranmanesh, M. Zeraatkar, Computing GA index for some nanotubes, Optoelectron. Adv. Mater. Rapid Commun. 4(2010), 1852 – 1855.Search in Google Scholar

[17] W. Lin, J. Chen, Q. Chen, T. Gao, X. Lin, B. Cai, Fast computer search for trees with minimal ABC index based on tree degree sequences, MATCH Commun. Math. Comput. Chem. 72(2014), 699 – 708.Search in Google Scholar

[18] P. D. Manuel, M. I. Abd-El-Barr, I. Rajasingh, B. Rajan, An efficient representation of Benes networks and its applications, J. Discrete Algorithms, 6(2008), 11 – 19.10.1016/j.jda.2006.08.003Search in Google Scholar

[19] S. Manzoor, M. K. Siddiqui, S. Ahmad, On entropy measures of molecular graphs using topological indices, Arab. J. Chem. 13(2020), 6285 - 6298.10.1016/j.arabjc.2020.05.021Search in Google Scholar

[20] M. Nadeem, A. Yousaf, H. Alolaiyan, A. Razaq, Certain polynomials and related topological indices for the series of benzenoid graphs, Sci Rep.9,9129 (2019). https://doi.org/10.1038/s41598-019-45721-y.10.1038/s41598-019-45721-y659133531235871Search in Google Scholar

[21] J. L. Palacios, A resistive upper bound for the ABC index, MATCH Commun. Math. Comput. Chem. 72(2014), 709 – 713.Search in Google Scholar

[22] M. Randic′, On Characterization of molecular branching, J. Amer. Chem. Soc., 97(1975), 6609 – 6615.10.1021/ja00856a001Search in Google Scholar

[23] D. Vukic̆evic′ B. Furtula, Topological index based on the ratios of geometrical and arithmetical means of end-vertex degrees of edges, J. Math. Chem., 46(2009), 1369 – 1376.10.1007/s10910-009-9520-xSearch in Google Scholar

[24] H. Wiener, Structural determination of paraffin boiling points, J. Amer. Chem. Soc., 69(1947), 17 – 20.10.1021/ja01193a00520291038Search in Google Scholar