Toward Environment-Sensitive Molecular Inference via Mixed Integer Linear Programming. [PDF]
ACS OmegaZhu J +5 more
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Novel temperature-based spectral topological indices for QSPR modeling of polyacenes in predicting physicochemical properties. [PDF]
Sci RepHayat S, Alanazi SJF, Belay MB, Wang S.
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DFT based structural modeling of chemotherapy drugs via topological indices and curvilinear regression. [PDF]
Sci RepSaeed F, Idrees N, Imran M.
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Lower bounds for the Zagreb indices of trees with given total domination number and its applications in QSPR studies of alkanes. [PDF]
Sci RepManuel M, Parthiban A.
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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 +8 more
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High-Efficiency Prediction of Surfactant Properties through Automated Hydrophilic-Hydrophobic Partitioning. [PDF]
J Chem Inf ModelGonzález-Núñez S +2 more
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Topological insights into breast cancer drugs: a QSPR approach using resolving topological indices. [PDF]
Front ChemPandeeswari 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]
Sci RepSwapna BS +4 more
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Polymer Informatics Method for Fast and Accurate Prediction of the Glass Transition Temperature from Chemical Structure. [PDF]
MacromoleculesBrierley-Croft S +6 more
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