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Novel Shape Descriptors for Molecular Graphs
Journal of Chemical Information and Computer Sciences, 2001We report on novel graph theoretical indices which are sensitive to the shapes of molecular graphs. In contrast to the Kier's kappa shape indices which were based on a comparison of a molecular graph with graphs representing the extreme shapes, the linear graph and the "star" graph, the new shape indices are obtained by considering for all atoms the ...
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Graph Data Management for Molecular Biology
OMICS: A Journal of Integrative Biology, 2003IT IS OUR VIEW that labeled directed graph data models (simple, nested, or hypergraphs) can naturally and usefully capture a wide variety of biological data and queries. We believe that development of general purpose graph data management systems (GDMSs) could become major platforms for development of a wide variety of bioinformatics database systems ...
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On the eigenvalues of molecular graphs
Molecular Physics, 1977Hydrocarbon molecules, both conjugated and saturated, are conveniently characterized by their molecular graphs. Both physical and chemical properties have been directly related to graphical quantities. The eigenvalues of molecular graphs display many coincidences and regularities whose explanation is not immediate. It is shown that for alternants which
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Molecular Imaging in Oncology: Current Impact and Future Directions
Ca-A Cancer Journal for Clinicians, 2022Martin G. Pomper, Steven P Rowe
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Carcinoma of Unknown Primary: Molecular Tumor Board-Based Therapy
Ca-A Cancer Journal for Clinicians, 2022Aditya Shreenivas +2 more
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Representation of molecular graphs by basic graphs
Journal of Chemical Information and Computer Sciences, 1992openaire +1 more source
Multi-View Spectral Graph Convolution With Consistent Edge Attention for Molecular Modeling
Neurocomputing, 2021Jinbo Bi, Minghu Song, Qinqing Liu
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The Current State of Molecular Testing in the Treatment of Patients With Solid Tumors, 2019
Ca-A Cancer Journal for Clinicians, 2019Edward S Kim +2 more
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Molecular Cancer Prevention: Current Status and Future Directions
Ca-A Cancer Journal for Clinicians, 2015Kenneth Y. Tsai +2 more
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The Lethal Phenotype of Cancer: The Molecular Basis of Death Due to Malignancy
Ca-A Cancer Journal for Clinicians, 2007Scott A Tomlins +2 more
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