Evidence map›Paper›PMID 41951720›Full record

ArticleScientific reports2026

First Zagreb energy of self-looped graphs: predictive insights into kidney infection drugs and theoretical bounds.

L Yashaswini, B R Rakshith, P Nagaraja

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Article in Scientific reports, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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4 · The record

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5 · Who and what money

Authors and funding

3 authors.

L YashaswiniManipal Institute of Technology, Manipal Academy of Higher Education, Manipal, India.
B R RakshithManipal Institute of Technology, Manipal Academy of Higher Education, Manipal, India. ranmsc08@yahoo.co.in.
P NagarajaManipal Institute of Technology, Manipal Academy of Higher Education, Manipal, India.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Graphs containing self-loops provide a versatile framework for modeling heteroatomic molecules, with each self-loop representing a hetero-atom. In this study, we investigate the predictive capability of the first Zagreb energy in relation to the physicochemical properties of kidney infection drugs, using their corresponding molecular graphs with self-loops. The analysis using linear, quadratic, cubic, and logarithmic regression models reveals a strong correlation between the first Zagreb energy and key physicochemical properties such as polarizability, molar refractivity, and molar volume. Statistical metrics such as standard error (SE), F-test value, standard error of fit (SF), and root mean squared error (RMSE) validate the stability and reliability of the proposed models. Furthermore, we compute the first Zagreb energy of the complete graph [Formula: see text], as well as the complete bipartite graph [Formula: see text], with partite sets [Formula: see text], and N. In addition, we derive both lower and upper bounds for the first Zagreb energy of graphs with self-loops.

Indexed as

Kidney DiseasesHumansEnergyFirst Zagreb matrixSelf-loop graphs

Identifiers

PMID41951720
PMCPMC13219713

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.