Results 171 to 180 of about 25,115,513 (232)
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International Journal of Quantum Chemistry, 2023
Numerous viral diseases endure to develop causing serious community health issues. One of such diseases is monkeypox, which is a viral zoonotic disease, found primarily in remote areas of Central and West African countries and is sporadically spread to ...
M. Kalaimathi, B. Balamurugan
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Numerous viral diseases endure to develop causing serious community health issues. One of such diseases is monkeypox, which is a viral zoonotic disease, found primarily in remote areas of Central and West African countries and is sporadically spread to ...
M. Kalaimathi, B. Balamurugan
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On QSPR Analysis of Molecular Descriptor and Thermodynamic Features of Narcotic Drugs
Polycyclic aromatic compounds (Print), 2023The use of chemical graph theory has been increased in almost every field of science in the last two decades. The graph invariants called topological descriptor are the numbers used to understand the physical and chemical properties of compounds. The use
Hao Zhou +5 more
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QSPR analysis for infinite dilution activity coefficients of organic compounds
Journal of Molecular Modeling, 2005A quantitative structure-property relationship study of the infinite-dilution activity coefficients for a set of 38 organic compounds in ionic liquids such as 1-methyl-3-ethylimidazolium bis((trifluoromethyl)sulfonyl)imide, 1,2-dimethyl-3-ethylimidazolium bis((trifluoromethyl)-sulfonyl)imide, and 4-methyl-N-butylpyridinium tetrafluoroborate. QSPR study
Kaido, Tämm, Peeter, Burk
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Modern physics letters B
The purpose of this paper is to discuss the use of topological indices (TIs) to anticipate the physical and biological aspects of innovative drugs used in the treatment of Alzheimer’s disease.
W. Ahmed +3 more
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The purpose of this paper is to discuss the use of topological indices (TIs) to anticipate the physical and biological aspects of innovative drugs used in the treatment of Alzheimer’s disease.
W. Ahmed +3 more
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International Journal of Quantum Chemistry
Asthma is a widespread disease that has affected more than 300 million people worldwide. There is no efficient or preventive treatment for this disease yet.
Deepa Balasubramaniyan +3 more
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Asthma is a widespread disease that has affected more than 300 million people worldwide. There is no efficient or preventive treatment for this disease yet.
Deepa Balasubramaniyan +3 more
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Journal of Micromechanics and Molecular Physics
Polycyclic aromatic hydrocarbons (PAHs) have distinctive chemical structures and are well known for their wide range of uses and environmental relevance.
W. Ahmed, Shahid Zaman, Farhana Khalid
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Polycyclic aromatic hydrocarbons (PAHs) have distinctive chemical structures and are well known for their wide range of uses and environmental relevance.
W. Ahmed, Shahid Zaman, Farhana Khalid
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International Journal of Quantum Chemistry
The topological indices are reported to be very useful in various QSPR studies as these indices can be utilized as a tool to predict the physicochemical properties of a diverse set of chemical compounds.
Monjit Chamua, J. Buragohain, A. Bharali
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The topological indices are reported to be very useful in various QSPR studies as these indices can be utilized as a tool to predict the physicochemical properties of a diverse set of chemical compounds.
Monjit Chamua, J. Buragohain, A. Bharali
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Physica Scripta
Topological indices are used to convert a chemical structure into a real number, usually to study the physicochemical and biological properties of molecules.
Yeşim Sağlam Özkan, Yeliz Kara
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Topological indices are used to convert a chemical structure into a real number, usually to study the physicochemical and biological properties of molecules.
Yeşim Sağlam Özkan, Yeliz Kara
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An Epistemological Analysis of QSPR/QSAR Models
2011Computer sciences have deeply changed the way by which we make science or produce knowledge. With the era of computers and the development of computer science, quantum chemists were among the first scientists to explore the potentialities of the new tool, and even to collaborate in its development.
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Pharmacological Activity and Membrane Interactions of Antiarrhythmics: 4D-QSAR/QSPR Analysis
Pharmaceutical Research, 1998This study was done to explore the relationships of both macroscopic and molecular level physicochemical properties to in-vivo antiarrhythmic activity and interactions with phospholipid membranes for a set of cationic-amphiphilic analogs.The 4D-QSAR method, recently developed by Hopfinger and co-workers (1), was employed to establish 3D-QSAR/QSPR ...
C D, Klein, A J, Hopfinger
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