Department of Mathematics

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Author: search.filters.author.Dr. Muhammad HussainSubject: search.filters.subject.Chemical Graphs

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    Topological Indices On Chemical Graphs
    (Library Information Services, COMSATS University Islamabad, Lahore Campus, 2019) Tayyaba Razzaq; SP16-RMT-002; Dr. Muhammad Hussain; LHR TP 5345
    Topological index is a numeric parameter which describe some silent features (con nectivity, boiling point, stability and melting point) of a Molecular graph representing some chemical compounds. These indices characterize topology and are usually hold mathematical properties of Graph invariant.The process of transforming chemical information of chemical molecules into useful numerical results is known as molec ular descriptor. These molecular descriptors are extensively used in the study of Quantitative structure-activity relationships (QSARs) which give insight to the bio logical properties based upon chemical structures. We will investigate R˜andic indices Rλ(G), where λ ∈ R. First, second and third Z˜agreb indices, First and second Z˜agreb Polynomials, Multi Z˜agreb indices, Atom bond connectivity ABC index, Geometric arithmetic GA index, fourth version of ABC index, Harmonic index and fifth version of GA index to estimate biological properties of chemical graphs
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    Zagreb Connection Numbers of Different Chemical Graphs
    (Library Information Services, COMSATS University Islamabad, Lahore Campus, 2020) ASAD ZUBAIR; FA18-RMT-051; LHR TP 6029; Dr. Muhammad Hussain
    Topological indices are real numerical parameters of a molecular structural networks and structural networks. These networks are characterize its topology and graph invariant. The molecular networks plays a vital role in QSAR/QSPR study, phisco-chemical properties and topological indices like Randic, atom-bond connectivity(ABC) and geometric-arithmetic(GA) are used to diagnose the bioactivity of chemical compounds. Actually these topological indices is designed by transforming a chemical structure into a numeric number. In the area of research, graph theory has been found to be very useful. In this thesis, we will compute the connection based topological indices the so-called first Zagreb connection index, second Zagreb connection index and first modified Zagreb connection index of Honeycomb Network, Linegraph of Honeycomb Network, Line graph of subdivision of Honeycomb Network Triangular Benezenoid Network,line graph of sub-division of Triangular Benezenoid Network and Hourglass system. This study will give us a very interesting and different results by using new topological index that is first Zagreb, second Zagreb, first modified Zagreb connection index.