Characteristics studies of molecular structures in drugs

In theoretical medicine, topological indices are defined to test the medicine and pharmacy characteristics, such as melting point, boiling point, toxicity and other biological activities. As basic molecular structures, hexagonal jagged-rectangle and distance-regular structure are widely appeared in medicine, pharmacy and biology engineering. In this paper, we study the chemical properties of hexagonal jagged-rectangle from the mathematical point of view. Several vertex distance-based indices are determined. Furthermore, the Wiener related indices of distance-regular structure are also considered.

[1]  Wei Gao,et al.  The Vertex Version of Weighted Wiener Number for Bicyclic Molecular Structures , 2015, Comput. Math. Methods Medicine.

[2]  Lihua Feng,et al.  The Harary index of trees , 2011, 1104.0920.

[3]  P. Paulraja,et al.  Harary Index of Product Graphs , 2015, Discuss. Math. Graph Theory.

[4]  S. Phillpot,et al.  Elastic and thermal properties of hexagonal perovskites , 2016 .

[5]  A new geometric–arithmetic index , 2009 .

[6]  B. Sharma.  Edge diffraction on triangular and hexagonal lattices: Existence, uniqueness, and finite section , 2016 .

[7]  Muhammad Kamran Siddiqui,et al.  Molecular Descriptors of Nanotube, Oxide, Silicate, and Triangulene Networks , 2017 .

[8]  M. Ruzzene,et al.  Dynamic behaviour of auxetic gradient composite hexagonal honeycombs , 2016 .

[9]  J. Wen,et al.  The complete mitochondrial genomes of two weevils, Eucryptorrhynchus chinensis and E. brandti: conserved genome arrangement in Curculionidae and deficiency of tRNA-Ile gene , 2016 .

[10]  Ivar Aavatsmark,et al.  Equivalent well-cell radius for hexagonal -orthogonal grids in numerical reservoir simulation , 2016, Appl. Math. Lett..

[11]  Jianhou Gan,et al.  Redefined Zagreb indices of Some Nano Structures , 2016 .

[12]  I. Gutman,et al.  The Edge Version of the Szeged Index , 2008 .

[13]  Wei Gao,et al.  Topological Indices Study of Molecular Structure in Anticancer Drugs , 2016 .

[14]  Muhammad Aqeel Ashraf,et al.  Paired observation on light-cured composite resin and nano-composite resin in dental caries repair. , 2016, Pakistan journal of pharmaceutical sciences.

[15]  W. Gao,et al.  THE FORGOTTEN TOPOLOGICAL INDEX OF SOME DRUG STRUCTURES , 2016 .

[16]  L. Tsiovkina.  On automorphisms of a distance-regular graph with intersection array {35, 32, 1; 1, 4, 35} , 2015, Proceedings of the Steklov Institute of Mathematics.

[17]  Ali Reza Ashrafi,et al.  On the Szeged Index of some Benzenoid Graphs Applicable in Nanostructures , 2009, Ars Comb..

[18]  Correlation of domination parameters with physicochemical properties of octane isomers , 2016 .

[19]  Wei He,et al.  Research on in vitro release of Isoniazid (INH) super paramagnetic microspheres in different magnetic fields. , 2016, Pakistan journal of pharmaceutical sciences.

[20]  Muhammad Aqeel Ashraf,et al.  Effects of the Traditional Chinese Medicine Dilong on Airway Remodeling in Rats with OVA-induced-Asthma , 2016 .

[21]  László Babai,et al.  Asymptotic Delsarte cliques in distance-regular graphs , 2015, Journal of Algebraic Combinatorics.

[22]  Nenad Trinajstić,et al.  Harary Index - Twelve Years Later* , 2002 .

[23]  O. Anunziata,et al.  Synthesis and characterization of 2D-hexagonal, 3D-hexagonal and cubic mesoporous materials using CTAB and silica gel , 2016 .

[24]  Wei Gao,et al.  Forgotten topological index of chemical structure in drugs , 2016, Saudi pharmaceutical journal : SPJ : the official publication of the Saudi Pharmaceutical Society.

[25]  Juan A. Rodríguez-Velázquez,et al.  The Hosoya polynomial of distance-regular graphs , 2014, Discret. Appl. Math..

[26]  Jasintha Quadras,et al.  Analytical expressions for Wiener indices of n-circumscribed peri-condensed benzenoid graphs , 2016, Journal of Mathematical Chemistry.

[27]  Ali Reza Ashrafi,et al.  PI and Szeged Indices of some Benzenoid Graphs Related to Nanostructures , 2007, Ars Comb..

[28]  Aleksandra Tepeh,et al.  Digraphs with large maximum Wiener index , 2016, Appl. Math. Comput..

[29]  Ante Graovac,et al.  A new version of atom-bond connectivity index. , 2010, Acta chimica Slovenica.

[30]  Wei Gao,et al.  The eccentric connectivity polynomial of two classes of nanotubes , 2016 .

[31]  M. Katsnelson,et al.  Energetics, barriers and vibrational spectra of partially and fully hydrogenated hexagonal boron nitride. , 2016, Physical chemistry chemical physics : PCCP.

[32]  Sandi Klavzar,et al.  Modified Wiener index via canonical metric representation, and some fullerene patches , 2016, Ars Math. Contemp..

[33]  Wei Gao,et al.  The fifth geometric-arithmetic index of bridge graph and carbon nanocones , 2017 .

[34]  Zhenling Liu,et al.  Adsorption characteristics of sulfur powder by bamboo charcoal to restrain sulfur allergies , 2016, Saudi journal of biological sciences.

[35]  HARARY INDEX OF ZIGZAG POLYHEX NANOTORUS , 2009 .

[36]  Chong Sze Tong,et al.  Wiener Number of Hexagonal Jagged-rectangles , 1997, Discret. Appl. Math..

[37]  J. Sedlar.  EXTREMAL UNICYCLIC GRAPHS WITH RESPECT TO ADDITIVELY WEIGHTED HARARY INDEX , 2013, 1306.4164.

[38]  B. Nagy,et al.  Wiener index on rows of unit cells of the face-centred cubic lattice. , 2016, Acta crystallographica. Section A, Foundations and advances.