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QSPR Analysis of Boiling Point of Chemical Compounds
2002A selected data mining methods have been developed to model the relationships between the structure of organic compounds and their properties. Molecular graph descriptors represent valuable structural descriptors that can be used with success in developing QSPR model. In this study we have used: four valance molecular connectivity indices (1χv, 2χv,3χv,
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Extension of adjacency matrix in QSPR analysis
Chemometrics and Intelligent Laboratory Systems, 2023Parikshit Das +3 more
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QSAR and QSPR Model Interpretation Using Partial Least Squares (PLS) Analysis
Current Computer Aided-Drug Design, 2012Carefully developed quantitative structure-activity and structure-property relationship models contain detailed information regarding how differences in the molecular structure of compounds correlate with differences in the observed biological or other physicochemical properties of those compounds.
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QSPR analysis of VL index with octane isomers
AIP Conference Proceedings, 2023Bindusree Areekal Ravindran +3 more
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On Topological Indices and QSPR Analysis of Drugs Used for the Treatment of Breast Cancer
Polycyclic Aromatic Compounds, 2022Syed Ahtsham Ul Haq Bokhary +2 more
exaly
QSPR analysis of KCD coindices for some Chemical compounds
AIP Conference Proceedings, 2022K. G. Mirajkar +2 more
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QSPR analysis of some novel neighbourhood degree-based topological descriptors
Complex & Intelligent Systems, 2021Sourav Mondal, Arindam Dey, Nilanjan De
exaly
On some neighbourhood degree-based topological indices with QSPR analysis of asthma drugs
The European Physical Journal Plus, 2023Deepa Balasubramaniyan +1 more
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QSPR analysis of some chemical structures using KCD indices
AIP Conference Proceedings, 2022K. G. Mirajkar +2 more
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QSPR Analysis of Certain Degree Based Topological Indices
Journal of Statistics Applications & Probability, 2017Sunilkumar Hosamani +4 more
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