Analyze the correlation between topological indices and antibacterial medications in physical and chemical characteristics

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Abstract QSPR is mathematically related to a molecule's structure and physicochemical characteristics. Topological indices can serve as a tool for predicting the physicochemical properties of chemical compounds, providing a useful alternative to time-consuming and costly laboratory testing. In this study, we established a QSPR relationship between topological indices and antibacterial medications. Our analysis indicates that these traits can be predicted with high accuracy. Additionally, we computed the topological indices of antimicrobial medicines. By combining these metrics with statistical modeling, our study aims to predict antibacterial efficacy and potentially aid in the discovery of novel antibiotic compounds that are more effective and less prone to resistance. This study highlight the topological indices can inform the rational development and selection of antibiotics for future medical and therapeutic applications.
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S, Haridharan N, Venkata Shivakumar Remella, and 1 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-6339457/v1 This work is licensed under a CC BY 4.0 License Status: Posted Version 1 posted You are reading this latest preprint version Abstract QSPR is mathematically related to a molecule's structure and physicochemical characteristics. Topological indices can serve as a tool for predicting the physicochemical properties of chemical compounds, providing a useful alternative to time-consuming and costly laboratory testing. In this study, we established a QSPR relationship between topological indices and antibacterial medications. Our analysis indicates that these traits can be predicted with high accuracy. Additionally, we computed the topological indices of antimicrobial medicines. By combining these metrics with statistical modeling, our study aims to predict antibacterial efficacy and potentially aid in the discovery of novel antibiotic compounds that are more effective and less prone to resistance. This study highlight the topological indices can inform the rational development and selection of antibiotics for future medical and therapeutic applications. antibiotic drugs correlation degree distance topological index Full Text Additional Declarations No competing interests reported. Cite Share Download PDF Status: Posted Version 1 posted You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. We do this by developing innovative software and high quality services for the global research community. Our growing team is made up of researchers and industry professionals working together to solve the most critical problems facing scientific publishing. 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