Predictive modeling of influenza strain drugs using temperature-based topological indices and regression analysis via multi-criteria decision making techniques.

Hasnain Hayat, Sarfraz Ahmad, Muhammad Kamran Siddiqui, Fikre Bogale Petros

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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 authors.

Hasnain HayatDepartment of Mathematics, COMSATS University Islamabad, Lahore Campus, Pakistan.

Sarfraz AhmadDepartment of Mathematics and Statistics, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), 11432, Riyadh, Saudi Arabia.

Muhammad Kamran SiddiquiDepartment of Mathematics, COMSATS University Islamabad, Lahore Campus, Pakistan.

Fikre Bogale PetrosDepartment of Mathematics, Addis Ababa University, Addis Ababa, Ethiopia. fikre.bogale@aau.edu.et.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The proposed study is an integrated graph-theoretical and statistical model of predictive modeling and ranking of influenza strain drugs based on temperature-based topological indices. Chemical graphs were used to model drug molecules and regression models that estimated important physicochemical properties were derived. The cubic models had the best predictive ability with coefficients of determination up to [Formula: see text] of molar refractivity and polarity and [Formula: see text] of molar volume and moderate correlation of boiling and flash points ([Formula: see text]). Moreover, the multi-criteria decision-making methods (WSM and WPM) reported Azithromycin (81.25), Ritonavir (77.46), and Indinavir (72.82) as the best ranked ones. The presented solution will offer a cost-effective, interpretable, and reliable instrument of antiviral drug prioritization.

Indexed as

Antiviral AgentsInfluenza, HumanDecision MakingHumansRegression AnalysisTemperatureAntiviral AgentsDrug rank.Graph theoryInfluenza strain drugsMulti criteria decision making (MCDM)Physicochemical propertiesRegression analysisTemperature based indicesWeighted Sum Model (WSM) and Weighted Product Model (WPM) technique

Identifiers

PMID41876751

DOI10.1038/s41598-026-45284-9

PMCPMC13134958

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LicenceCC BY-NC-ND

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