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QSPR analysis for certain bio‐molecular architectures
International Journal of Quantum ChemistryAbstractFlavonoids are known for its mechanism of antioxidant property which can prevent DNA damage. These natural products' anticancer and antiviral properties are linked to their mechanism of action. Various examinations reveals that, there will be a adjacent relationship between the molecular structure and their physicochemical properties such as ...
P. Noah Antony Daniel Renai +2 more
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QSPR analysis with curvilinear regression modeling and topological indices
2019Summary: Topological indices are the real number of a molecular structure obtained via molecular graph \(G\). Topological indices are used for QSPR, QSAR and structural design in chemistry, nanotechnology, and pharmacology. Moreover, physicochemical properties such as the boiling point, the enthalpy of vaporization, and stability can be estimated by ...
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Extension of adjacency matrix in QSPR analysis
Chemometrics and Intelligent Laboratory Systems, 2023Parikshit Das +3 more
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Topological Indices and QSPR Analysis of NSAID Drugs
Polycyclic Aromatic Compounds, 2023Leena Rosalind Mary Gnanaraj +2 more
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QSPR analysis of VL index with octane isomers
AIP Conference Proceedings, 2023Bindusree Areekal Ravindran +3 more
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QSPR Analysis on the Graph Energies of Chemical graphs
2022Veeragoudar, Jaishri +2 more
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QSPR analysis of some novel extension and generalization of Sombor index
2022Buragohain, Jibonjyoti +2 more
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Predicting aqueous solubility by QSPR modeling
Journal of Molecular Graphics and Modelling, 2021Nastaran Meftahi +2 more
exaly
QSPR analysis of KCD coindices for some Chemical compounds
AIP Conference Proceedings, 2022K. G. Mirajkar +2 more
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