DFT based structural modeling of chemotherapy drugs via topological indices and curvilinear regression. [PDF]
Saeed F, Idrees N, Imran M.
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Symmetry-guided monomer design enables the combinatorial synthesis and targeted screening of polyesters. [PDF]
Feng X +7 more
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Novel eigenvector centrality indices for octane isomers to explore their physicochemical properties. [PDF]
Rani ASJ, Balamurugan BJ.
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Topological insights into breast cancer drugs: a QSPR approach using resolving topological indices. [PDF]
Pandeeswari E, Ravi Sankar J.
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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]
Swapna BS +4 more
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High-Resolution Mass Spectrometry Analysis of Legacy and Emerging PFAS in Oilfield Environments: Occurrence, Source, and Toxicity Assessment. [PDF]
Sun X.
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Predictive power of parametric temperature based topological indices with applications in structure property modeling of anti tuberculosis drugs. [PDF]
Hayat S, Alanazi SJF, Belay MB, Wang S.
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Improving the Reliability of Protein Folding Rate Predictions by Applying Guidelines for Validating QSAR/QSPR Models. [PDF]
Kraljević A +3 more
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Polymer Informatics Method for Fast and Accurate Prediction of the Glass Transition Temperature from Chemical Structure. [PDF]
Brierley-Croft S +6 more
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TOPSIS based multi criteria QSPR modeling of antibiotics using graph theoretic indices. [PDF]
Hashem AF +3 more
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