ZAGREB INDICES OF GRAPHS

Graph theory
• Graphs permit to represent relationships among
different kinds of entities:
– Cities connected by roads
– Computers connected in a network
– People linked by family relationships
– Two persons sharing a room
– Connections among electronic components
• Graphs are a formal tool to model problems as
– Find the shortest path between two cities
– Determine the cheapest (most effective) way of connecting a set of
computers in a communication network
– Assign a set of jobs to a set of machines
– Find the routes for a fleet of vehicle to supply a set of customer in the
most effective way
SOME BASIC CONCEPTS
Graph:

A graph is made up of VERTICES (also

called nodes or points) which are connected by EDGES (also

called links or lines).

Simple graph:

A graph without loop or multiple edges is

called Simple Graph.

Undirected Graph:

A graph whose edges are unordered pairs of vertices.

That is, each edge connects two vertices.
Connected Graphs:

i)An undirected graph is connected when it has at least

one vertex and there is a path between every pair of
vertices.

ii)In a connected graph, there are

no unreachable vertices. An undirected graph that is
not connected is called disconnected.
Complete Graph:

A Complete graph is a simple undirected

graph in which every pair of distinct vertices is
connected by a unique edge. It is also a regular
graph.
Tree Graph:

A Tree is an undirected graph in which any two

vertices are connected by exactly one path, or
equivalently a connected acyclic
undirected graph.
Degree of Graph:

1)In graph theory, the degree (or valency) of a vertex of

a graph is the number of edges that are incident to the
vertex, and in a multigraph, loops are counted twice.

2)The degree of a vertex {v} is

denoted {deg(v)} or {deg v}. The maximum degree of
a graph G, denoted by {∆(G)}, and the minimum
degree of a graph, denoted by {𝛿(G)}.
In the graph the Maximum degree is 5 and the
Minimum degree is 0.
TOPOLOGICAL INDICES
Topological representation:

A representation of an object giving information only about the

number of elements composing it and their connectivity is
named as topological representation of an object

Indices:

An index number is a number which is raised to a power.

The power, also known as the index, tells you how many times you
have to multiply the number by itself.

For example, 25 means that you have to multiply 2 by itself five

times = 2×2×2×2×2 = 32.
1) A topological representation of a molecule is called

molecular graph.

2) A molecular graph is a collection of points

representing the atoms in the molecule and set of lines

representing the covalent bonds.
 TOPOLOGICAL INDICES
In the fields of chemical graph theory, molecular

topology, and mathematical chemistry,

a topological index also known as a connectivity

index is a type of a molecular descriptor that is

calculated based on the molecular graph of a

chemical compound.
 Types of Topological indices

In topological indices nine types of indices have been

introduced so far. They are

1) Wiener index 6) Zagreb index

2) Hyper-Wiener index 7) Szeged index

3) Randic index 8) Pandmakar – Ivan index

4) Estrada index 9) Gutman index

5) Hosoya index
ZAGREB INDEX
Zagreb City
University Of Zagreb
IVAN GUTMAN & NENAD TRINAJSTIC
 Zagreb Indices

The graph based molecular descriptors called Zagreb

indices were introduced more than 30 years ago by

Gutman and Trinajstic

 ZAGREB INDICES

FIRST ZAGREB SECOND ZAGREB

INDICES INDICES
Some basic notations:
i) Let G=(V;E) be a simple graph with vertex set
V(G)={v1,v2,v3………..vn} and edge set E(G) = {e1,e2,…….,en}. where
𝑉(𝐺) = n and 𝐸(𝐺) = m.

ii) Let 𝐺ҧ be the complement of G. We denote by di =dG(vi) the

degree of vertex vi for i = 1,2,3,…..n such that d1 ≥ d2 ≥ d3 ≥…..
≥ d n.

iii) Let 𝜇𝑖 be the average degree of the vertices adjacent to

vertex vi in G.

iv) The Minimum vertex degree is denoted by 𝛿

and the Maximum by ∆. The second maximum degree is written
as 𝛿2 .
 First Zagreb Index

The first Zagreb index M1(G) is equal to the sum

of squares of the degrees of vertices.

M1 = M1(G) = σ𝑛𝑖=1(𝑑𝑖)2
deg(v1)= 1, deg(v2)= 3, deg(v3)= 2, deg(v4)= 2

M1 =M1(G)=σ𝑛𝑖=1(𝑑𝑖)2

M1 = 12+32+22+22 = 1+9+4+4 = 18
 Second Zagreb Index

The Second Zagreb index M2(G) is equal to the

sum of the products of the degrees of pairs of
adjacent vertices of the underlying molecular
graph G.

M2 =M2(G)=σ𝑣𝑖,𝑣𝑗∈𝐸(𝑑𝑖𝑑𝑗)
M2 =M2(G)=σ𝑣𝑖,𝑣𝑗∈𝐸(𝑑𝑖𝑑𝑗)

M2 = (dv1 dv2)+(dv2dv3)+(dv3dv4)+(dv4dv2)

M2 = 3+6+4+6

M2 = 19
 More on Zagreb Indices

1) A vertex u is called an r-vertex if the degree d(u) of u

is equal to r. The number of r-vertex in G is denoted by
nr.

2) A graph is called R-regular if all its vertices have the

same degree R. We distinguish between two types of
connected simple graphs.
Connected graphs of class 1

1) The property that no two vertices of the same degrees are

adjacent.

2) It follows that a connected graph G belongs to the class 1, if

and only if g(r,r)=0 for any r∈ 𝐷(𝐺)

3) In this case it is easy to see that a connected graph G

belongs to class 1 if and only if σ𝑟≠𝑠 𝑔 𝑟, 𝑠 = 2𝑛𝑟𝑟 holds for
any r∈ 𝐷(𝐺)

4) The complete bipartite graphs belong to the biregular

graphs of class 1
connected graph of class 1
Connected graphs of class 2

1) The property at least one edge Connects vertices of

equal degree.

2) Connected regular graphs belong to class 2

Connected graph of class 2
Relation between First and second Zagreb
indices

For Connected graphs of class 1

1)The AutoGraphix system conjectured that

M1/n ≤M2/m

(Where n= 𝑉(𝐺) and m= 𝐸(𝐺) ) for simple connected

graphs.

2) Hansen and Vukicevic proved that it is true for chemical

graphs and it does not hold for all graphs.
3) Vukicevic and Graovac proved that it is also true for

trees.

4) Sun and chen proved that M1/n ≤M2/m holds for

graphs with ∆(G) − δ(G) ≤ 2 and also they obtained the

result that M1/n ≤M2/m holds for graphs with ∆(G) −

δ(G) ≤ 3 and δ(G) ≠2

5) We try to prove that M1/n ≤M2/m holds for also

graphs with ∆(G) − δ(G) ≤ 4 and δ(G) ≠2.

We can prove this by Graphical example as follows:

Let n = number of vertex and m = number of edges

In Zagreb indices

M1(G)=σ𝑢∈𝑉(𝐺)(𝑑 𝑢 )2

M2(G)= σ𝑢𝑣∈𝐸(𝐺) 𝑑 𝑢 𝑑(𝑣)

M1(G) = 1+16+4+9+25+4+1= 60

M2(G) = 4+12+15+6+10+5+10+20+8= 90
∆(G) = 5
δ(G) = 1

∆(G) − δ(G) ≤ 4 and δ(G) ≠2.

M1/n ≤M2/m

= 60/7 ≤ 90/9

= 8.5 ≤ 10

Hence, If G is a graph with n vertices, m edges

M1/n ≤M2/m holds for also graphs with ∆(G) − δ(G) ≤ 4
and δ(G) ≠2.
APPLICATIONS OF ZAGREB INDICES
Application of Zagreb indices in Dendrimers:

Dendrimers:

i) Dendrimers are hyper-branched nanostructures that can be

synthesized by divergent or convergent methods and they are
built up from branched units called monomers using nanoscale
fabrication process.

ii) Dendrimers are considered one of the most important ,

commercially available building blocks in nanotechnology.

iii) Dendrimers are used in the formation of

nanotubes,nanolatex,chemical sensors,micro and macro
capsules,coloured glass,modified electrodes and photon funnels
such as arificial antennas because are widely used in such
different applied fields
Polypropylenimine octamine dendrimer(NS2[n])
Application of Zagreb indices in Networking:
i) There is a very wide application of mathematics in communication
theory, signal processing and networking.

ii) A network is formed by nodes communicating with each other.

iii) Graph theory plays a vital role in the area of networking research.

iv) A topological index is a numeric quantity obtained from a graph

structure which is invariant under isomorphism.

v) we obtained a generalized degree-based topological

index, called (a,b)- Zagreb index of some derived networks such as
Sierpinski network, butterfly network
Sierpinski network Butterfly network
THANK YOU