ListarGI-RNASA - Artigos por tema "Molecular descriptors"

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    • A review on machine learning approaches and trends in drug discovery 

      Carracedo-Reboredo, Paula; Liñares Blanco, Jose; Rodríguez-Fernández, Nereida; Cedrón, Francisco; Novoa, Francisco; Carballal, Adrián; Maojo, Víctor; Pazos, A.; Fernández-Lozano, Carlos (Research Network of Computational and Structural Biotechnology, 2021)
      Abstract: Drug discovery aims at finding new compounds with specific chemical properties for the treatment of diseases. In the last years, the approach used in this search presents an important component in computer science ...

    • Evolutionary Computation and QSAR Research 

      Aguiar-Pulido, Vanessa; Gestal, M.; Cruz-Monteagudo, Maykel; Rabuñal, Juan R.; Dorado, Julián; Munteanu, Cristian-Robert (Bentham Science, 2013)
      [Abstract] The successful high throughput screening of molecule libraries for a specific biological property is one of the main improvements in drug discovery. The virtual molecular filtering and screening relies greatly ...