On Topological Indices of Certain Families of Nanostar Dendrimers.

نویسندگان

  • Mohamad Nazri Husin
  • Roslan Hasni
  • Nabeel Ezzulddin Arif
  • Muhammad Imran
چکیده

A topological index of graph G is a numerical parameter related to G which characterizes its molecular topology and is usually graph invariant. In the field of quantitative structure-activity (QSAR)/quantitative structure-activity structure-property (QSPR) research, theoretical properties of the chemical compounds and their molecular topological indices such as the Randić connectivity index, atom-bond connectivity (ABC) index and geometric-arithmetic (GA) index are used to predict the bioactivity of different chemical compounds. A dendrimer is an artificially manufactured or synthesized molecule built up from the branched units called monomers. In this paper, the fourth version of ABC index and the fifth version of GA index of certain families of nanostar dendrimers are investigated. We derive the analytical closed formulas for these families of nanostar dendrimers. The obtained results can be of use in molecular data mining, particularly in researching the uniqueness of tested (hyper-branched) molecular graphs.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Some Topological Indices of Nanostar Dendrimers

Wiener index is a topological index based on distance between every pair of vertices in a graph G. It was introduced in 1947 by one of the pioneer of this area e.g, Harold Wiener. In the present paper, by using a new method introduced by klavžar we compute the Wiener and Szeged indices of some nanostar dendrimers.

متن کامل

M-Polynomial and Related Topological Indices of Nanostar Dendrimers

Dendrimers are highly branched organic macromolecules with successive layers of branch units surrounding a central core. The M-polynomial of nanotubes has been vastly investigated as it produces many degree-based topological indices. These indices are invariants of the topology of graphs associated with molecular structure of nanomaterials to correlate certain physicochemical properties like bo...

متن کامل

Eccentric Related Indices of an Infinite Class of Nanostar Dendrimers

Clear indication has it in numerous studies that a strong inherent relationship exists between the chemical characteristics of chemical compounds and drugs (e.g., boiling point and melting point) and their molecular structures. There are several topological indices are defined on these chemical molecular structures and they can help researchers better understand the physical features, chemical ...

متن کامل

The Wiener, Szeged, and PI Indices of a Dendrimer Nanosta

Let G= V E be a simple connected graph. The distance between two vertices of G is defined to be the length of the shortest path between the two vertices. There are topological indices assigned to G and based on the distance function which are invariant under the action of the automorphism group of G. Some important indices assigned to G are the Wiener, Szeged, and PI index which we will find th...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • Molecules

دوره 21 7  شماره 

صفحات  -

تاریخ انتشار 2016