Yazar "Eryasar, Elif" seçeneğine göre listele

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    Algebraic approach to various chemical structures with new Banhatti coindices
    (Taylor & Francis Ltd, 2024) Sozen, Esra Ozturk; Eryasar, Elif
    Topological coindices are the numeric values, obtained by the complement graph of a molecular structure, which is used in Quantitative Structure Property/Activity Relationship (QSPR/QSAR) studies to evaluate the physicochemical and biological properties of compounds. In this article, we introduce new distance-based topological indices calculated with the CoM-polynomial approach. We present an application about the compatibility of these indices with some drugs that are candidates for use in the treatment of COVID-19 with QSPR analysis.
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    An Algebraic Approach to Calculate Some Topological Coindices and QSPR Analysis of Some Novel Drugs Used in the Treatment of Breast Cancer
    (Taylor & Francis Ltd, 2024) Sozen, Esra Ozturk; Eryasar, Elif
    Breast cancer is one of the most leading deadly diseases in the world whose ranks first among all oncological diseases in women and it is the second spearheading reason of cancer deadness after lung cancer in the United States. Researchers from all over the world are working for finding better ways for preventing, identifying, and treating breast cancer. Topological indices are the functions generating a numerical value from the molecular graph of compounds and they are also a useful tool to estimate the pyhsicochemical and biological properties of molecules in the quantitative structure-property (activity) relationship (QSPR/QSAR) studies. In this paper, some drugs are studied which are used for the treatment of breast cancer. CoM-polynomials based on degree are occurred for chemical graphs of these drugs and the values of some variable topological coindices are calculated via these polynomials. The results obtained by regression analysis show that the correlations of the chosen coindices with the physicochemical properties of the determined drugs are good even strong for some of them. The QSPR models are constructed using the curvilinear regression method with topological coindices.
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    Computing degree based topological indices of algebraic hypergraphs
    (Cell Press, 2024) Alali, Amal S.; Sozen, Esra Ozturk; Abdioglu, Cihat; Ali, Shakir; Eryasar, Elif
    Topological indices are numerical parameters that indicate the topology of graphs or hypergraphs. A hypergraph H = (V (H), E(H)) consists of a vertex set V (H) and an edge set E(H), where each edge e is an element of E(H) is a subset of V(H) with at least two elements. In this paper, our main aim is to introduce a general hypergraph structure for the prime ideal sum (PIS)- graph of a commutative ring. The prime ideal sum hypergraph of a ring R is a hypergraph whose vertices are all non-trivial ideals of R and a subset of vertices E, with at least two elements is a hyperedge whenever I + J is a prime ideal of R for each non-trivial ideal I, J in E, and E, is maximal with respect to this property. Moreover, we also compute some degree-based topological indices (first and second Zagreb indices, forgotten topological index, harmonic index, Randic index, Sombor index) for these hypergraphs. In particular, we describe some degree-based topological indices for the newly defined algebraic hypergraph based on prime ideal sum for Z(n) where n = p(alpha), pq, p(2)q, p(2)q(2), pqr, p(3)q, p(2)qr, pqrs for the distinct primes p, q, r and s.
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    Forgotten Topological and Wiener Indices of Prime Ideal Sum Graph of Zn
    (Bentham Science Publ Ltd, 2024) Sozen, Esra Ozturk; Eryasar, Elif; Abdioglu, Cihat
    Background: Chemical graph theory is a sub-branch of mathematical chemistry, assuming each atom of a molecule is a vertex and each bond between atoms as an edge. Objective: Owing to this theory, it is possible to avoid the difficulties of chemical analysis because many of the chemical properties of molecules can be determined and analyzed via topological indices. Due to these parameters, it is possible to determine the physicochemical properties, biological activities, environmental behaviours and spectral properties of molecules. Nowadays, studies on the zero divisor graph of Z(n) via topological indices is a trending field in spectral graph theory. Methods: For a commutative ring R with identity, the prime ideal sum graph of R is a graph whose vertices are nonzero proper ideals of R and two distinctvertices I and J are adjacent if and only if I+J is a prime ideal of R. Results: In this study the forgotten topological index and Wiener index of the prime ideal sum graph of Z(n) are calculated for n=p(alpha), pq, p(2)q, p(2)q(2), pqr, p(3)q, p(2)qr, pqrs where p,q,r and s are distinct primes and a Sage math code is developed for designing graph and computing the indices. Conclusion: In the light of this study, it is possible to handle the other topological descriptors for computing and developing new algorithms for next studies and to study some spectrum and graph energies of certain finite rings with respect to PIS-graph easily.
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    Graph theoretic approach for calculation of new Banhatti indices VIA recent algebraic polynomials with a chemical application
    (Taylor & Francis Ltd, 2023) Oztuerk Sozen, Esra; Eryasar, Elif
    In this article, we design new distance-based topological indices which are computed by a recent polynomial approach. Also, we present a chemical application on the suitability of these indices with some drugs used for the treatment of COVID-19 via QSPR analysis. Curvilinear regression models are obtained and analysed for the physico-chemical properties of the COVID-19 drugs. Our models and findings could aid in the development of new drugs for the treatment of COVID-19.
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    QSPR Analysis of Some Drug Candidates Investigated for COVID-19 via New Topological Coindices
    (Taylor & Francis Ltd, 2024) Sozen, Esra Ozturk; Eryasar, Elif
    The COVID-19 outbreak has appeared as a matchless global threat against all humanity. Even the most developed countries have been shocked by the adversities of the COVID-19 pandemic affecting social life, especially human health. All over the world, researchers still have been studying to develop new medicines the combat outbreak. A topological index can be thought of as the conversion of a chemical structure to a real number. Topological indices are often used to provide information about the physicochemical properties and biological properties of molecules. Topological coindices are the numeric values, obtained by the complement graph of a molecular structure, which is used in Quantitative Structure Property/Activity Relationship (QSPR/QSAR) studies to evaluate the physicochemical and biological properties of compounds. In this study, we construct some new topological coindices and define the concept of CoNM-polynomial. Owing to these polynomials we pass the difficulty of calculating the topological coindices. The computing process is done for the molecular graph structure of fixed analogs of Lopinavir, Favipiravir and Ritonavir. Afterward, obtained values are evaluated in QSPR modeling via linear and quadratic regression analysis to examine some physicochemical properties of the analog medicines such as enthalpy of vaporization (E), flash point (FP), molar refractivity (MR), polarizability (P), surface tension (T), molar volume (MV).
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    Szeged-like topological descriptors and COM-polynomials for graphs of some Alzheimer's agents
    (Taylor & Francis Ltd, 2024) Sozen, Esra Oztuerk; Eryasar, Elif; Cakmak, Suekriye
    In this study, we define Szeged-like topological coindices in which formulas are constructed by a complement of a given graph. We introduce two new co-polynomials of two variables, denoted by SMP(x,y) and SMPe(x,y) briefly, to compute modifications and edge versions of these molecular descriptors. In order to the perform the effect of the topological descriptors, firstly we obtain the graph structures of five novel diamide derivatives which are considered potential agents for Alzheimer's disease. After completing the computation process of each index from some modifications of the polynomials mentioned above, we correlate the coindices values with the pMIC values of the compounds against three Gram-negative bacteria E. coli, P. aeruginosa, K. pneumoniae, and three Gram-positive bacteria E. faecalis, B. cereus, S. aeurus to predict the bioactivity properties. As a result of the QSAR analysis, we get good correlations among the bioactivity data and topologic values which shows the effectiveness of our newly created coindices. Also we give mathematical equations giving the best approach to predict the relation between the topological coindices and bioactivity properties obtained by exponential regression analysis. [GRAPHICS] .