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Published in 2019 at "Journal of Cluster Science"
DOI: 10.1007/s10876-019-01658-w
Abstract: In the study of the quantitative structure–activity relationship and quantitative structure–property relationships, degree-based topological indices are the most prominent and can be used to characterize the chemical compounds and predict their certain physiochemical properties like…
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Keywords:
index;
degree based;
based topological;
versions degree ... See more keywords
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Published in 2018 at "Applied Mathematical Modelling"
DOI: 10.1016/j.apm.2018.03.016
Abstract: Abstract A topological descriptor/index (or molecular structure descriptor) is a numerical value associated with chemical constitution for correlation of chemical structure/network with various physical properties, chemical reactivity or biological activity. Quantitative structure–activity and structure–property relationships…
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Keywords:
based topological;
valency based;
chemical networks;
topological descriptors ... See more keywords
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Published in 2020 at "Polycyclic Aromatic Compounds"
DOI: 10.1080/10406638.2020.1834415
Abstract: The representation of chemical compounds and chemical networks with the ve-degree and ev-degree is a new idea, and it gives nice and good results of the topological descriptors. These results are u...
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Keywords:
degree topological;
comparative study;
descriptors benzene;
topological descriptors ... See more keywords
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Published in 2021 at "Computer Graphics Forum"
DOI: 10.1111/cgf.14331
Abstract: In topological data analysis and visualization, topological descriptors such as persistence diagrams, merge trees, contour trees, Reeb graphs, and Morse–Smale complexes play an essential role in capturing the shape of scalar field data. We present…
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Keywords:
field comparison;
visualization;
scalar field;
topological descriptors ... See more keywords
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Published in 2017 at "Geomagnetism and Aeronomy"
DOI: 10.1134/s0016793217080126
Abstract: Solar flare prediction remains an important practical task of space weather. An increase in the amount and quality of observational data and the development of machine-learning methods has led to an improvement in prediction techniques.…
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Keywords:
vector;
los magnetograms;
topological descriptors;
prognostic efficiency ... See more keywords
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Published in 2021 at "Journal of Mathematics"
DOI: 10.1155/2021/4880092
Abstract: A molecular graph is used to represent a chemical molecule in chemical graph theory, which is a branch of graph theory. A graph is considered to be linked if there is at least one link…
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Keywords:
graph;
degree based;
index;
based topological ... See more keywords
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Published in 2023 at "Molecules"
DOI: 10.3390/molecules28093684
Abstract: Due to significant advancements being made in the field of drug design, the use of topological descriptors remains the primary approach. When combined with QSPR models, descriptors illustrate a molecule’s chemical properties numerically. Numbers relating…
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Keywords:
degree based;
skin cancer;
cancer drugs;
chemical ... See more keywords