Novel Roman domination-based graph energies for QSPR analysis of neuroprotective herbal compounds in Alzheimer's disease treatment. [PDF]
Front ChemSalini Jancy Rani A, Balamurugan BJ.
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QSPR analysis of anticancer drugs using the Euler-Sombor index and theoretical insights on its minimum value for unicyclic graphs. [PDF]
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From graph theory to chemoinformatics: modified bond-based indices and a hypothesis-driven multi-task QSAR/QSPR benchmark. [PDF]
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Accurate Stabilities of Laccase Mutants Predicted with a Modified FoldX Protocol [PDF]
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QSPR analysis of the drugs used to treat renal failure and its complications using degree and modified reverse degree indices. [PDF]
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Enhancing bioinformatics engineering by utilizing graph therapeutic properties for clinically approved antitoxin drugs in zoonotic diseases. [PDF]
Sci RepImran M, Aqib M, Malik MA, Jutt S.
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Predictive modeling for physicochemical properties of β-lactam antibiotics through eigenvalue based topological indices and non linear regression techniques. [PDF]
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Interpreting Molecular Descriptors for Glass Transition Temperature Prediction and Design of Polyimides. [PDF]
Materials (Basel)Cui T, Liu H, Liu X, Min Y.
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Predictive topological modeling of the structure-property relationships in naturally occurring anti-cancer chalcones. [PDF]
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