ArticleInternational journal of quantum chemistry2021
Topological indices and QSPR/QSAR analysis of some antiviral drugs being investigated for the treatment of COVID-19 patients.
Article in International journal of quantum chemistry, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 34 papers.
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34 citing papers in PubMed, 142 citations in OpenAlex.
- Interpretable QSPR Modeling of Bipolar Disorder Drugs Using Topological Indices and Machine Learning Regression.ACS omega · 2026Article
- Derivation of closed-form analytical irregularity topological indices for ideal rock-salt lattices.Scientific reports · 2026Article
- On topological co-index polynomials for predictive modeling of the physicochemical properties of antiviral drugs.Scientific reports · 2026Article
- A QSPR study of coronary artery disease drugs using eccentricity-based indices.Scientific reports · 2025Article
- Chemical significance and degeneracy of weighted degree-based topological descriptor second Davan index for octane isomers and computation of certain nanostructures.Scientific reports · 2025Article
- Exploring QSPR in breast cancer drugs via entire neighborhood indices and regression models.Scientific reports · 2025Article
- QSPR and QSTR analysis to explore pharmacokinetic and toxicity properties of antifungal drugs through topological descriptors.Scientific reports · 2025Article
- QSPR analysis of physico-chemical and pharmacological properties of medications for Parkinson's treatment utilizing neighborhood degree-based topological descriptors.Scientific reports · 2025Article
- Ranking polycystic ovarian syndrome (PCOS) drugs using degree-based indices in QSPR models and CRITIC-driven MCDM methods.Scientific reports · 2025Article
- Predictive analysis of vitiligo treatment drugs using degree and neighborhood degree-based topological descriptors.Scientific reports · 2025Article
- Topological analysis and predictive modeling of amino acid structures with implications for bioinformatics and structural biology.Scientific reports · 2025Article
- QSPR modeling of some COVID-19 drugs using neighborhood eccentricity-based topological indices: A comparative analysis.PloS one · 2025Article
- Quantitative structure-property relationship modeling and ranking of necrotizing fasciitis drugs via degree-based topological indices.Frontiers in chemistry · 2025Article
- Topological insights into breast cancer drugs: a QSPR approach using resolving topological indices.Frontiers in chemistry · 2025Article
- Hexagonal Fractals: Topological Indices, Fractal Dimensions, Structure-property Modeling and its Applications.Current organic synthesis · 2025Article
- On physical analysis of topological indices and entropy measures for porphyrazine structure using logarithmic regression model.Scientific reports · 2024Article
- Exploring the role of topological descriptors to predict physicochemical properties of anti-HIV drugs by using supervised machine learning algorithms.BMC chemistry · 2024Article
- Exploring physicochemical characteristics of cyclodextrin through M-polynomial indices.Scientific reports · 2024Article
- On physical analysis of topological indices for iron disulfide network via curve fitting model.Scientific reports · 2024Article
- Computation of differential and integral operators usingHeliyon · 2024Article
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The spread of novel virus SARS-CoV-2, well known as COVID-19 has become a major health issue currently which has turned up to a pandemic worldwide. The treatment recommendations are variable. Lack of appropriate medication has worsened the disease. On the basis of prior research, scientists are testing drugs based on medical therapies for SARS and MERS. Many drugs which include lopinavir, ritonavir and thalidomide are listed in the new recommendations. A topological index is a type of molecular descriptor that simply defines numerical values associated with the molecular structure of a compound that is effectively used in modeling many physicochemical properties in numerous quantitative structure-property/activity relationship (QSPR/QSAR) studies. In this study, several degree-based and neighborhood degree sum-based topological indices for several antiviral drugs were investigated by using a
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