Results 41 to 50 of about 4,217,992 (292)
Graph Residual Flow for Molecular Graph Generation
CoRR, 2019 Statistical generative models for molecular graphs attract attention from many researchers from the fields of bio- and chemo-informatics. Among these models, invertible flow-based approaches are not fully explored yet. In this paper, we propose a powerful invertible flow for molecular graphs, called graph residual flow (GRF).
Shion Honda +4 more
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Eccentricity Based Topological Indices of an Oxide Network
Mathematics, 2018 Graph theory has much great advances in the field of mathematical chemistry. Chemical graph theory has become very popular among researchers because of its wide applications in mathematical chemistry.
Muhammad Imran +5 more
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Computing Edge Metric Dimension of One-Pentagonal Carbon Nanocone
Frontiers in Physics, 2021 Minimum resolving sets (edge or vertex) have become an integral part of molecular topology and combinatorial chemistry. Resolving sets for a specific network provide crucial information required for the identification of each item contained in the ...
Sunny Kumar Sharma +2 more
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Comparing energy and Randic energy
Macedonian Journal of Chemistry and Chemical Engineering, 2013 The recently conceived Randić energy (RE) is examined, and its relation to the (earlier much studied) total π-electron energy (E) is investigated. Within classes of molecular graphs, there exists a relatively good (increasing) linear correlation between ...
Boris Furtula, Ivan Gutman
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Computing entire Zagreb indices of some dendrimer structures
Main Group Metal Chemistry, 2020 Topological indices are numerical numbers associated to molecular graphs and are invariant of a graph. In QSAR/QSPR study, Zagreb indices are used to explain the different properties of chemical compounds at the molecular level mathematically.
Gao Wei +5 more
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Graph Transformation in Molecular Biology [PDF]
, 2005 In the beginning, one of the main fields of application of graph transformation was biology, and more specifically morphology. Later, however, it was like if the biological applications had been left aside by the graph transformation community, just to be moved back into the mainstream these very last years with a new interest in molecular biology.
Francesc Rosselló, Gabriel Valiente
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Graph-based implicit knowledge discovery from architecture change logs [PDF]
, 2012 Service architectures continuously evolve as a consequence of frequent business and technical change cycles. Architecture change log data represents a source of evolution-centric information in terms of intent, scope and operationalisation to ...
Pooyan Jamshidi (5276344) +12 more
core +2 more sources
, 2013 In this paper, the concept of Total semirelib graph of a planar graph is introduced. Authors present a characterization of those graphs whose total semirelib graphs are planar, outer planar, Eulerian, hamiltonian with crossing number ...
Prasad, Manjunath +3 more
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Entropy comparison of benzothiadiazole-based covalent-organic frameworks
Frontiers in ChemistryCovalent Organic Frameworks (COFs) are popular photocatalysts that utilize solar energy to generate hydrogen peroxide and evolve hydrogen because of their intrinsic porosity, robust framework, and excellent structural regularity.
Soniya Kurian +3 more
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Computing the Ediz eccentric connectivity index of discrete dynamic structures
Open Physics, 2017 From the earlier studies in physical and chemical sciences, it is found that the physico-chemical characteristics of chemical compounds are internally connected with their molecular structures. As a theoretical basis, it provides a new way of thinking by
Wu Hualong +4 more
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