Publications by authors named "Raquel Martin-Romalde"

Article Synopsis
  • QSAR/QSPR models have traditionally focused on small molecules in medicinal chemistry, utilizing molecular graphs where atoms serve as nodes connected by chemical bonds.
  • Complex Networks broaden the scope of research, enabling the mathematical representation of complex interactions such as drug-target interactions and geographical disease spread, using the same basic components of nodes and links.
  • The work aims to provide a common foundation for understanding various research manuscripts by reviewing software, databases, QSAR/QSPR models, and topological indices that facilitate analysis in both classic small molecule studies and beyond.
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Complex Networks are useful in solving problems in drug research and industry, developing mathematical representations of different systems. These systems move in a wide range from relatively simple graph representations of drug molecular structures to large systems. We can cite for instance, drug-target protein interaction networks, drug policy legislation networks, or drug treatment in large geographical disease spreading networks.

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Graph and Complex Network theory is expanding its application to different levels of matter organization such as molecular, biological, technological, and social networks. A network is a set of items, usually called nodes, with connections between them, which are called links or edges. There are many different experimental and/or theoretical methods to assign node-node links depending on the type of network we want to construct.

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