Research Article

On the Sensitivity of Graph Energy Types

Number: 54 March 30, 2026

On the Sensitivity of Graph Energy Types

Abstract

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.

Keywords

References

  1. R. Todeschini, V. Consonni, Molecular descriptors for chemoinformatics, Wiley, 2009.
  2. J. Devillers, A. T. Balaban, Topological indices and related descriptors in QSAR and QSPR, 1st Edition, CRC Press, 1999.
  3. A. Z. Dudek, T. Arodz, J. Galvez, Computational methods in developing quantitative structure-activity relationships (QSAR): A review, Combinatorial Chemistry & High Throughput Screening 9 (3) (2006) 213–228.
  4. R. Todeschini, V. Consonni, P. Gramatica, Chemometrics in QSAR, Comprehensive Chemometrics: Chemical and Biochemical Data Analysis, Vol. 4, Elsevier, 2009, pp. 129–172.
  5. M. Randic, Molecular bonding profiles}, Journal of Mathematical Chemistry 19 (3) (1996) 375–392.
  6. 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.
  7. B. Furtula, I. Gutman, M. Dehmer, On structure-sensitivity of degree-based topological indices, Applied Mathematics and Computation 219 (17) (2013) 8973–8978.
  8. M. Rakic, B. Furtula, A novel method for measuring the structure sensitivity of molecular descriptors, Journal of Chemometrics 33 (7) (2019) e3138.

Details

Primary Language

English

Subjects

Numerical and Computational Mathematics (Other)

Journal Section

Research Article

Publication Date

March 30, 2026

Submission Date

February 28, 2026

Acceptance Date

March 30, 2026

Published in Issue

Year 2026 Number: 54

APA
Oz, M. S. (2026). On the Sensitivity of Graph Energy Types. Journal of New Theory, 54, 68-79. https://doi.org/10.53570/jnt.1899903
AMA
1.Oz MS. On the Sensitivity of Graph Energy Types. JNT. 2026;(54):68-79. doi:10.53570/jnt.1899903
Chicago
Oz, Mert Sinan. 2026. “On the Sensitivity of Graph Energy Types”. Journal of New Theory, nos. 54: 68-79. https://doi.org/10.53570/jnt.1899903.
EndNote
Oz MS (March 1, 2026) On the Sensitivity of Graph Energy Types. Journal of New Theory 54 68–79.
IEEE
[1]M. S. Oz, “On the Sensitivity of Graph Energy Types”, JNT, no. 54, pp. 68–79, Mar. 2026, doi: 10.53570/jnt.1899903.
ISNAD
Oz, Mert Sinan. “On the Sensitivity of Graph Energy Types”. Journal of New Theory. 54 (March 1, 2026): 68-79. https://doi.org/10.53570/jnt.1899903.
JAMA
1.Oz MS. On the Sensitivity of Graph Energy Types. JNT. 2026;:68–79.
MLA
Oz, Mert Sinan. “On the Sensitivity of Graph Energy Types”. Journal of New Theory, no. 54, Mar. 2026, pp. 68-79, doi:10.53570/jnt.1899903.
Vancouver
1.Mert Sinan Oz. On the Sensitivity of Graph Energy Types. JNT. 2026 Mar. 1;(54):68-79. doi:10.53570/jnt.1899903

 

TR Dizin 26024
 
Electronic Journals Library 13651
 
                                EBSCO 36309                                     DOAJ 33468
Scilit 20865                                                         SOBİAD 30256

 

29324 JNT is licensed under a Creative Commons Attribution-NonCommercial 4.0 International Licence (CC BY-NC)
 

The Journal of New Theory's website content and procedures are publicly accessible under the CC BY-NC license; commercial use requires our permission.