M.Phil / MS
Permanent URI for this collectionhttps://repository.cuilahore.edu.pk/handle/123456789/52
This collection archives the complete set of theses produced by students of the COMSATS University Islamabad, Lahore Campus.
Browse
13 results
Search Results
Item Physicochemical Properties of Some Drugs by Using Machine Learning(Library Information Services, COMSATS University Islamabad, Lahore Campus, 2025) Amman Farzeen; CIIT/SP24-RMT-023/LHR; Dr. Kashif Ali; LHR TP 10083This study explores the integration of machine learning and multi-criteria decision-making techniques for the characterization and evaluation of potential therapeutics targeting Duchenne Muscular Dystrophy . A dataset comprising the physicochemical properties of twenty anti- Duchenne muscular dystrophy drug candidates is analyzed using topological indices de- rived from molecular graphs. These indices, computed via Python-based algorithms, served as input features for machine learning models. Artificial Neural Networks and Random Forests are employed to predict key physicochemical properties based on the structural de- scriptors. The results demonstrate that topological indices are effective predictors, enabling accurate and consistent performance across both models. To prioritize the drug candidates, the Technique for Order Preference by Similarity to Ideal Solution (TOPSIS) is applied as an multi-criteria decision-making tool, leveraging the model predictions to rank compounds based on multiple beneficial attributes. The proposed framework highlights the synergy be- tween graph-theoretical descriptors, machine learning, and multi-criteria decision-making, offering a robust in-silico approach for early-stage drug evaluation. This methodology pro- vides a systematic and objective strategy for ranking therapeutic candidates, particularly valuable in the context of rare diseases such as duchenne muscular dystrophy. Key words: Machine learning; Molecular Graph; QSPR Analysis; Topological indices; Ar- tificial Neural Networks; Random Forest; TOPSIS; Python Algorithm; Anti-DMD drugs.Item Entropy Measure of Degree Based Indices for the Boron Nanotubes(Library Information Services, COMSATS University Islamabad, Lahore Campus, 2021) Muhammad Shahid; CIIT/SP20-RMT-006/LHR; Dr. Kashif Ali; LHR TP 7624The physicochemical properties of molecules are correlated with their chemical struc- ture using degree-based topological indices. The graph entropy zone has captured the imagination of scientists because of its possible application in chemistry. Boron nan- otubular structures are high-interest materials with new electronic characteristics due to the presence of multi center bonds. Mechanical and thermal stability are two chal- lenges that these materials have in nanodevice applications. Therefor they necessitate theoretical research into the other qualities. In this thesis, study the graph entropy mea- sure by using topological invariants of different versions of atom-bond connectivity in- dex Zagreb indices M1(G), M2(G) (including redefined forms ReZG1(G), ReZG2(G) and ReZG3(G) and the forgotten topological index F(G)) which gives a better predic- tion of the chemical properties of different chemical compounds. We computed these indices for boron nanotube because of its significance in nanotechnology. To ensure the correctness of the output, a computational analysis and graphical comparison of generated indices is provided.Item Computational Invariants of Some Chemical Structures(Library Information Services, COMSATS University Islamabad, Lahore Campus, 2021) Abdur Rehman Hashmi; CIIT/FA19-RMT-004/LHR; Dr. Kashif Ali; LHR TP 7435In this study we will focus on computational invariants of different structures of chemical graphs. We will focus on the bond additive invariant, new bond additive invariant especially Mostar invariant, edge Mostar invariant and Total Mostar invariants of some graphs like Hydrogen Depleted molecular graph of Vulcanized Rubber and Poly-Methyl Methacrylate(PMMA).Item Resolving Topological Index Of Graphs Associated(Library Information Services, COMSATS University Islamabad, Lahore Campus, 2021) Ali Bahadar; FA19-RMT-109; Dr. Kashif Ali; LHR TP 7394In this thesis, we study a well-known concept of graph theory, called resolvability, in con- text of two types of graphs ( commuting and non-commuting) associated to two algebraic structures (dihedral and semi-dihedral groups). By analyzing the resolving share and the average resolving share of each vertex, we compute the resolving topological index of each graph.Item Group H-magic labelings of graphs(Library Information Services, COMSATS University Islamabad, Lahore Campus, 2015) Syed Tahir Raza Rizvi; FA11-PMT-002; Dr. Kashif Ali; LHR TP 5283A simple graph G admits an H-covering if each edge in E G is a member of a sub- graph of G isomorphic to H. An H-magic labeling of a graph G possessing an H-covering is a bijective function from the vertex-set and the edge-set of the graph G onto the set 1 2 V G E G if there occurs a positive integer , called the magic sum, such that for every subgraph H of G isomorphic to H, the sum wt H v V H v e E H e is equal to . The sum wt H is termed as, the H-weight. A graph is called H-magic (H-supermagic) if it possesses an H-magic (H-supermagic) labeling. If H is isomorphic to K2, then resulting labeling is known as edge-magic total labeling. This dissertation studies about the formulation of cycle-supermagic labelings for the disjoint union of isomorphic and non isomorphic copies of different families of graphs. We also evaluate the K2-supermagic labelings of some families of alpha trees. More- over, we find the cycle-(super)magic labelings of uniform subdivided graph and cycle- supermagic labelings for non uniform subdivisions of fans and triangular ladders graphs. We also articulate about the introduction of H-groupmagic total labeling of a graph G over a finite abelian group A . In this study, we determine the H-groupmagic total labelings of fan graphs and disjoint union of isomorphic as well as non-isomorphic copies of fan graphs over finite abelian group A 3 n, where n 3Item Analytical and Soliton Solutions for Nonlinear Schr dinger Equation(Library Information Services, COMSATS University Islamabad, Lahore Campus, 2019) Badar Nawaz; CIIT/FA13-PMATH-001/LHR; Dr. Kashif Ali; LHR TP 5941A soliton which is also known as the traveling wave solution has a unique property,” the collision of two solitons produce the waves whose permanent structure remain the same”. These wave solutions are very stable and having a key role in the mathematical physics, especially in fiber technology. ”A soliton does not change its amplitude, shape and speed for a long distance in a non-local and nonlinear optical media”. The applications of soliton solutions are also in various branches of physics. The soliton solutions can be calculated by using the different types of nonlinearities. The optical solitons are very important in the study of nonlinear optical fibers. In this thesis firstly, we determine different types of soliton solutions of dimensionless form of Quintic Complex Ginzburg-Landau (CGLQ) equation by using modified extended tanh− function method (METFM) and the extended trial equation method (ETEM). Sec- ondly, we obtain bright, singular and Jacobi elliptic soliton solutions for the time fractional perturbed NLSE (TFPNLSE) by using ETEM with Kerr, power and log law nonlineari- ties. Thirdly, we find the combo and dipole soliton solutions for CGLQ model with differ- ent ansatz methods. Next, we construct different soliton solutions for the paraxial NLSE (PNLSE) in Kerr media by ETEM. Then, we get the bright and dark solitons for non- Kerr law NLSE with third order (3OD) and fourth order (4OD) dispersions by Sine-cosine method (SCM)and Bernoullis equation method (BEM) with nonlinearities. In the last, by using Hirota bilinear method (HBM), we obtain the multiple solitons for the nonlinear Telegraph equation (NLTE) and the nonlinear PHI-four equation (NLPFE).Item Degree-Distance Base Topological Indices from Some Graphs Operations(Library Information Services, COMSATS University, Lahore Campus, 2019) Aqib Ali,; SP17-RMT-002; Dr. Kashif Ali, Assistant Profesor; LHR TP 5420Degree-Distance Base Topological Indices from Some Graphs Operations In this thesis, firstly we find the degree based topological indices and M-polynomial for line graph of t-subdivided graphs of probabilistic neural networks L[PNN(q,c∗,c)] for t ≥1. Wealso find the fourth and fifth version of atomic bound connectivity ABC4, ABC5 index and fourth and fifth version of geometric-arithmetic GA4, GA5 index of line graph of 1-subdivided graphs of probabilistic neural networks L[PNN(q,c∗,c)]. Secondly, we find the degree based topological indices and M-polynomial for line graph of m-subdivided graphs for the chain of Bismuth Tri-Iodide L[m−Bil3] for m ≥ 3. Lastly, we find the first and third zagreb eccentric index and M-polynomial of sierpinski networks S(n,k).Item H-Irregular Total Labeling Of Connected Graphs(Library Information Services, COMSATS University Islamabad, Lahore Campus, 2021) Muhammad Kaleem; FA19-RMT-028; Dr. Kashif Ali; LHR TP 7390A labelling α is a vertex H irregular k-labelling of graph in which we assign the value from {1, 2, 3, · · · , k} to the vertices for this the weight of Hi and Hj is different for i 6= j. The vertex weight of any H can be calculated by adding the labels of the vertices which are includes in H. A labelling α is edge H irregular k-labelling α of graph in which we assign the value from {1, 2, 3, · · · , k} to the edges for this the weight of Hi and Hj is different for i 6= j. The weight of any H can be calculated by adding the labels of edges which are includes in H. In this thesis we find the vertex and edge H irregular k-labellings of Starphene graph, ladder graph, triangular ladder graph and double gear graph. Key words: The vertex and edge H irregular k-labellings starphene graph and gear graph.Item Entropy Measure Of Degree Based Invariants …(Library Information Services COMSATS University Islamabad Lahore Campus, 2021) Maryam Saber; FA19-RMT-034; LHR TP 7381; Dr. Kashif AliChemical graph theory is a branch of mathematical chemistry that uses graph theory techniques mathematically create the chemical phenomena. In addition, chemical graph theory refers to the applications of graph theory to solve molecular chain. In the field of chemical research this theory has important applications. In this thesis, we find the some topological indices and the estimated values of these indices. We determine some entropy of degree based indices of different chemical structures especially the dendrimers and para-line graph and we research the entropies of the graph linked to a new information function accessible. We explore topological indices M1(G)andM2(G), the redefined form of Zagreb indices, the F-index F(G);R(G) index of the molecular chain especially the dendrimers. Furthermore, we compare the predicted values of these indices and give the graphical representation of these indices.Item Some Topological Invariants for Extended Para Line Graphs(Library Information Services, COMSATS University Islamabad, Lahore Campus, 2021) Abaid Ur Rehman; SP19-RMT-017; LHR TP 6474; Dr. Kashif Ali