<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE article PUBLIC "-//NLM//DTD JATS (Z39.96) Journal Publishing DTD v1.4 20241031//EN"
        "https://jats.nlm.nih.gov/publishing/1.4/JATS-journalpublishing1-4.dtd">
<article  article-type="research-article"        dtd-version="1.4">
            <front>

                <journal-meta>
                                                                <journal-id>jnt</journal-id>
            <journal-title-group>
                                                                                    <journal-title>Journal of New Theory</journal-title>
            </journal-title-group>
                                        <issn pub-type="epub">2149-1402</issn>
                                                                                            <publisher>
                    <publisher-name>Naim ÇAĞMAN</publisher-name>
                </publisher>
                    </journal-meta>
                <article-meta>
                                        <article-id pub-id-type="doi">10.53570/jnt.1899903</article-id>
                                                                <article-categories>
                                            <subj-group  xml:lang="en">
                                                            <subject>Numerical and Computational Mathematics (Other)</subject>
                                                    </subj-group>
                                            <subj-group  xml:lang="tr">
                                                            <subject>Sayısal ve Hesaplamalı Matematik (Diğer)</subject>
                                                    </subj-group>
                                    </article-categories>
                                                                                                                                                        <title-group>
                                                                                                                        <article-title>On the Sensitivity of Graph Energy Types</article-title>
                                                                                                    </title-group>
            
                                                    <contrib-group content-type="authors">
                                                                        <contrib contrib-type="author">
                                                                    <contrib-id contrib-id-type="orcid">
                                        https://orcid.org/0000-0002-6206-0362</contrib-id>
                                                                <name>
                                    <surname>Oz</surname>
                                    <given-names>Mert Sinan</given-names>
                                </name>
                                                                    <aff>BURSA TECHNICAL UNIVERSITY</aff>
                                                            </contrib>
                                                                                </contrib-group>
                        
                                        <pub-date pub-type="pub" iso-8601-date="20260330">
                    <day>03</day>
                    <month>30</month>
                    <year>2026</year>
                </pub-date>
                                                    <issue>54</issue>
                                        <fpage>68</fpage>
                                        <lpage>79</lpage>
                        
                        <history>
                                    <date date-type="received" iso-8601-date="20260228">
                        <day>02</day>
                        <month>28</month>
                        <year>2026</year>
                    </date>
                                                    <date date-type="accepted" iso-8601-date="20260330">
                        <day>03</day>
                        <month>30</month>
                        <year>2026</year>
                    </date>
                            </history>
                                        <permissions>
                    <copyright-statement>Copyright © 2014, Journal of New Theory</copyright-statement>
                    <copyright-year>2014</copyright-year>
                    <copyright-holder>Journal of New Theory</copyright-holder>
                </permissions>
            
                                                                                                <abstract><p>Topological indices, also known as molecular descriptors, are an indispensable tool for quantitative structure property/activity relationships models, which play a significant role in drug design processes. Randic presented the properties that a topological index must possess in chemical graph theory to be considered a good molecular descriptor. Among the prominent properties is the fact that a topological index should change gradually with a gradual change in structures. An effective and widely accepted method for measuring this feature was first proposed by Furtula et al., based on graph edit distance. This method was later improved by Rakic and Furtula drawing on the $z$-score associated with the Tanimoto index. This paper performs a comparative analysis of the structure sensitivity and abruptness values of graph energy types, based on fourteen different topological indices, using these two methods.</p></abstract>
                                                            
            
                                                            <kwd-group>
                                                    <kwd>Structure sensitivity</kwd>
                                                    <kwd>  abruptness</kwd>
                                                    <kwd>  graph invariants</kwd>
                                                    <kwd>  eigenvalue-based topological indices</kwd>
                                            </kwd-group>
                            
                                                                                                                        </article-meta>
    </front>
    <back>
                            <ref-list>
                                    <ref id="ref1">
                        <label>1</label>
                        <mixed-citation publication-type="journal">R. Todeschini, V. Consonni, Molecular descriptors for chemoinformatics, Wiley, 2009.</mixed-citation>
                    </ref>
                                    <ref id="ref2">
                        <label>2</label>
                        <mixed-citation publication-type="journal">J. Devillers, A. T. Balaban, Topological indices and related descriptors in QSAR and QSPR, 1st Edition, CRC Press, 1999.</mixed-citation>
                    </ref>
                                    <ref id="ref3">
                        <label>3</label>
                        <mixed-citation publication-type="journal">A. Z. Dudek, T. Arodz, J. Galvez, Computational methods in developing quantitative structure-activity relationships (QSAR): A review, Combinatorial Chemistry &amp; High Throughput Screening 9 (3) (2006) 213–228.</mixed-citation>
                    </ref>
                                    <ref id="ref4">
                        <label>4</label>
                        <mixed-citation publication-type="journal">R. Todeschini, V. Consonni, P. Gramatica, Chemometrics in QSAR, Comprehensive Chemometrics: Chemical and Biochemical Data Analysis, Vol. 4, Elsevier, 2009, pp. 129–172.</mixed-citation>
                    </ref>
                                    <ref id="ref5">
                        <label>5</label>
                        <mixed-citation publication-type="journal">M. Randic, Molecular bonding profiles}, Journal of Mathematical Chemistry 19 (3) (1996) 375–392.</mixed-citation>
                    </ref>
                                    <ref id="ref6">
                        <label>6</label>
                        <mixed-citation publication-type="journal">B. Furtula, K. C. Das, I. Gutman, Comparative analysis of symmetric division deg index as potentially useful molecular descriptor, International Journal of Quantum Chemistry 118 (17) (2018) e25659.</mixed-citation>
                    </ref>
                                    <ref id="ref7">
                        <label>7</label>
                        <mixed-citation publication-type="journal">B. Furtula, I. Gutman, M. Dehmer, On structure-sensitivity of degree-based topological indices, Applied Mathematics and Computation 219 (17) (2013) 8973–8978.</mixed-citation>
                    </ref>
                                    <ref id="ref8">
                        <label>8</label>
                        <mixed-citation publication-type="journal">M. Rakic, B. Furtula, A novel method for measuring the structure sensitivity of molecular descriptors, Journal of Chemometrics 33 (7) (2019) e3138.</mixed-citation>
                    </ref>
                                    <ref id="ref9">
                        <label>9</label>
                        <mixed-citation publication-type="journal">I. Redzepovic, B. Furtula, Comparative study on structural sensitivity of eigenvalue–based molecular descriptors, Journal of Mathematical Chemistry 59 (2) (2021) 476–487.</mixed-citation>
                    </ref>
                                    <ref id="ref10">
                        <label>10</label>
                        <mixed-citation publication-type="journal">M. Dehmer, K. Varmuza, A comparative analysis of the Tanimoto index and graph edit distance for measuring the topological similarity of trees, Applied Mathematics and Computation 259 (2015) 242–250.</mixed-citation>
                    </ref>
                                    <ref id="ref11">
                        <label>11</label>
                        <mixed-citation publication-type="journal">V. Kumar, S. Das, On structure sensitivity and chemical applicability of some novel degree-based topological indices, Match Communications in Mathematical and in Computer Chemistry 92 (1) (2024) 165–203.</mixed-citation>
                    </ref>
                                    <ref id="ref12">
                        <label>12</label>
                        <mixed-citation publication-type="journal">Y. Ma, M. Dehmer, U. M. Künzi, S. Tripathi, M. Ghorbani, J. Tao, F. Emmert-Streib, The usefulness of topological indices, Information Sciences 606 (2022) 143–151.</mixed-citation>
                    </ref>
                                    <ref id="ref13">
                        <label>13</label>
                        <mixed-citation publication-type="journal">I. Gutman, Degree-based topological indices, Croatica Chemica Acta 86 (4) (2013) 351–361.</mixed-citation>
                    </ref>
                                    <ref id="ref14">
                        <label>14</label>
                        <mixed-citation publication-type="journal">I. Gutman, Sombor indices-back to geometry, Open Journal of Discrete Applied Mathematics 5 (2) (2022) 1–5.</mixed-citation>
                    </ref>
                                    <ref id="ref15">
                        <label>15</label>
                        <mixed-citation publication-type="journal">R. B. Bapat, Graphs and matrices, 1st Edition, Springer London, 2010.</mixed-citation>
                    </ref>
                                    <ref id="ref16">
                        <label>16</label>
                        <mixed-citation publication-type="journal">I. Gutman, The energy of a graph}, Berichte der Mathematisch-Statistischen Sektion im Forschungszentrum Graz 103 (1978) 1–22.</mixed-citation>
                    </ref>
                                    <ref id="ref17">
                        <label>17</label>
                        <mixed-citation publication-type="journal">N. J. Rad, A. Jahanbani, I. Gutman, Zagreb energy and Zagreb Estrada index of graphs, Match Communications in Mathematical and in Computer Chemistry 79 (2) (2018) 371–386.</mixed-citation>
                    </ref>
                                    <ref id="ref18">
                        <label>18</label>
                        <mixed-citation publication-type="journal">H. Bunke, On a relation between graph edit distance and maximum common subgraph, Pattern Recognition Letters 18 (8) (1997) 689–694.</mixed-citation>
                    </ref>
                                    <ref id="ref19">
                        <label>19</label>
                        <mixed-citation publication-type="journal">X. Gao, B. Xiao, D. Tao, X. Li, A survey of graph edit distance, Pattern Analysis and Applications 13 (1) (2010) 113–129.</mixed-citation>
                    </ref>
                                    <ref id="ref20">
                        <label>20</label>
                        <mixed-citation publication-type="journal">D. Bajusz, A. Racz, K. Heberger, Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?, Journal of Cheminformatics 7 (2015) 20.</mixed-citation>
                    </ref>
                                    <ref id="ref21">
                        <label>21</label>
                        <mixed-citation publication-type="journal">A. A. Hagberg, D. A. Schult, P. J. Swart, Exploring network structure, dynamics, and function using NetworkX, Proceedings of the 7th Python in Science Conference (SciPy 2008), Pasadena, 2008, pp. 11–16.</mixed-citation>
                    </ref>
                                    <ref id="ref22">
                        <label>22</label>
                        <mixed-citation publication-type="journal">G. Landrum, RDKit: Open–source cheminformatics software (2006), Accessed 4 Oct 2025.</mixed-citation>
                    </ref>
                                    <ref id="ref23">
                        <label>23</label>
                        <mixed-citation publication-type="journal">E. Estrada, L. Torres, L. Rodrıguez, I. Gutman, An atom-bond connectivity index: Modelling the enthalpy of formation of alkanes, Indian Journal of Chemistry 37A (10) (1998) 849–855.</mixed-citation>
                    </ref>
                                    <ref id="ref24">
                        <label>24</label>
                        <mixed-citation publication-type="journal">M. O. Albertson, The irregularity of a graph, Ars Combinatoria 46 (1997) 219–225.</mixed-citation>
                    </ref>
                                    <ref id="ref25">
                        <label>25</label>
                        <mixed-citation publication-type="journal">B. Furtula, A. Graovac, D. Vukicevic, Augmented Zagreb index, Journal of Mathematical Chemistry 48 (2) (2010) 370–380.</mixed-citation>
                    </ref>
                                    <ref id="ref26">
                        <label>26</label>
                        <mixed-citation publication-type="journal">D. Vukicevic, B. Furtula, Topological index based on the ratios of geometrical and arithmetical means of end–vertex degrees of edges, Journal of Mathematical Chemistry 46 (4) (2009) 1369–1376.</mixed-citation>
                    </ref>
                                    <ref id="ref27">
                        <label>27</label>
                        <mixed-citation publication-type="journal">S. Fajtlowicz, On conjectures of Graffiti-II, Congressus Numerantium 60 (1987) 187–197.</mixed-citation>
                    </ref>
                                    <ref id="ref28">
                        <label>28</label>
                        <mixed-citation publication-type="journal">I. Gutman, Multiplicative Zagreb indices of trees, Bulletin of International Mathematical Virtual Institute 1 (2011) 13–29.</mixed-citation>
                    </ref>
                                    <ref id="ref29">
                        <label>29</label>
                        <mixed-citation publication-type="journal">I. Gutman, N. Trinajstic, Graph theory and molecular orbitals. Total $\pi$-electron energy of alternant hydrocarbons, Chemical Physics Letters 17 (4) (1972) 535–538.</mixed-citation>
                    </ref>
                                    <ref id="ref30">
                        <label>30</label>
                        <mixed-citation publication-type="journal">I. Gutman, B. Ruscic, N. Trinajstic, C. F. Wilcox, Graph theory and molecular orbitals. XII. Acyclic polyenes, The Journal of Chemical Physics 62 (1975) 3399–3405.</mixed-citation>
                    </ref>
                                    <ref id="ref31">
                        <label>31</label>
                        <mixed-citation publication-type="journal">M. Eliasi, A. Iranmanesh, I. Gutman, Multiplicative versions of first Zagreb index, Match-Communications in Mathematical and in Computer Chemistry 68 (1) (2012) 217–230.</mixed-citation>
                    </ref>
                                    <ref id="ref32">
                        <label>32</label>
                        <mixed-citation publication-type="journal">M. Randic, On characterization of molecular branching, Journal of the American Chemical Society 97 (23) (1975) 6609–6615.</mixed-citation>
                    </ref>
                                    <ref id="ref33">
                        <label>33</label>
                        <mixed-citation publication-type="journal">B. Zhou, N. Trinajstic, On a novel connectivity index, Journal of Mathematical Chemistry 46 (4) (2009) 1252–1270.</mixed-citation>
                    </ref>
                                    <ref id="ref34">
                        <label>34</label>
                        <mixed-citation publication-type="journal">D. Vukicevic, M. Gasperov, Bond additive modeling 1. Adriatic indices, Croatica Chemica Acta 83 (3) (2010) 243–260.</mixed-citation>
                    </ref>
                                    <ref id="ref35">
                        <label>35</label>
                        <mixed-citation publication-type="journal">I. Gutman, Geometric approach to degree-based topological indices: Sombor indices, Match-Communications in Mathematical and in Computer Chemistry 86 (1) (2021) 11–16.</mixed-citation>
                    </ref>
                            </ref-list>
                    </back>
    </article>
