Topological insights into breast cancer drugs: a QSPR approach using resolving topological indices. [PDF]
Front ChemPandeeswari E, Ravi Sankar J.
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Novel eigenvector centrality indices for octane isomers to explore their physicochemical properties. [PDF]
Sci RepRani ASJ, Balamurugan BJ.
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Symmetry-guided monomer design enables the combinatorial synthesis and targeted screening of polyesters. [PDF]
Chem SciFeng X +7 more
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High-Resolution Mass Spectrometry Analysis of Legacy and Emerging PFAS in Oilfield Environments: Occurrence, Source, and Toxicity Assessment. [PDF]
ToxicsSun X.
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Chemical significance and degeneracy of weighted degree-based topological descriptor second Davan index for octane isomers and computation of certain nanostructures. [PDF]
Sci RepSwapna BS +4 more
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Improving the Reliability of Protein Folding Rate Predictions by Applying Guidelines for Validating QSAR/QSPR Models. [PDF]
Int J Mol SciKraljević A +3 more
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Topological Indices and QSPR Analysis of NSAID Drugs
Polycyclic Aromatic Compounds, 2023We were motivated to examine the quantitative structure–property relationships (QSPR) of nonsteroidal anti-inflammatory drugs (NSAIDs) by prior work on medicines. To do this, we made use of topological indices and analyzed the data (NSAIDs).
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QSPR analysis of physico-chemical and pharmacological properties of medications for Parkinson’s treatment utilizing neighborhood degree-based topological descriptors [PDF]
Sci RepTopological indices are invariant quantitative metrics associated with a molecular graph, which characterize the bonding topology of a molecule. The main aim of analyzing topological indices is to summarize and transform chemical structural information ...
V. Ravi, Natarajan Chidambaram
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Computation of domination degree-based topological indices using python and QSPR analysis of physicochemical and ADMET properties for heart disease drugs [PDF]
Front ChemHeart disease is a leading cause of death worldwide, highlighting the need for effective treatments for hypertension, arrhythmias, and high cholesterol.
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