Now showing items 1-5 of 5

    • 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 ...
    • A semantic interoperability approach to support integration of gene expression and clinical data in breast cancer 

      Alonso-Calvo, Raúl; Paraíso-Medina, Sergio; Pérez-Rey, David; Alonso-Oset, Enrique; Stiphout, Ruud van; Taylor, Marian; Buffa, Francesca; Fernández-Lozano, Carlos; Pazos, A.; Maojo, Víctor (Elsevier, 2017-06-05)
      [Abstract] Introduction. The introduction of omics data and advances in technologies involved in clinical treatment has led to a broad range of approaches to represent clinical information. Within this context, patient ...
    • Carbon nanotubes’ effect on mitochondrial oxygen flux dynamics: polarography experimental study and machine learning models using star graph trace invariants of Raman spectra 

      González-Durruthy, Michael; Monserrat, José M.; Rasulev, Bakhtiyor; Casañola-Martín, Gerardo M.; Barreiro Sorrivas, José María; Paraíso-Medina, Sergio; Maojo, Víctor; González-Díaz, Humberto; Pazos, A.; Munteanu, Cristian-Robert (MDPI, 2017-11-11)
      [Abstract] This study presents the impact of carbon nanotubes (CNTs) on mitochondrial oxygen mass flux (Jm) under three experimental conditions. New experimental results and a new methodology are reported for the first ...
    • Carbon Nanotubes’ Effect on Mitochondrial Oxygen Flux Dynamics: Polarography Experimental Study and Machine Learning Models using Star Graph Trace Invariants of Raman Spectra 

      González-Durruthy, Michael; Monserrat, José M.; Rasulev, Bakhtiyor; Casañola-Martín, Gerardo M.; Barreiro Sorrivas, José María; Paraíso-Medina, Sergio; Maojo, Víctor; González-Díaz, Humberto; Munteanu, Cristian-Robert; Pazos, A. (M D P I AG, 2017-11-11)
      [Abstract] This study presents the impact of carbon nanotubes (CNTs) on mitochondrial oxygen mass flux (Jm) under three experimental conditions. New experimental results and a new methodology are reported for the first ...
    • Nanoinformatics: Developing New Computing Applications for Nanomedicine 

      Maojo, Víctor; Fritts, Martin; Martín Sánchez, Fernando; Iglesia, Diana de la; Cachau, Raul E.; García-Remesal, Miguel; Crespo, José; Mitchell, Joyce A.; Anguita, Alberto; Baker, Nathan; Barreiro, José María; Benítez, Sonia E.; Calle, Guillermo de la; Facelli, Julio C.; Ghazal, Peter; Geissbuhler, Antoine; González-Nilo, Fernando; Graf, Norbert; Grangeat, Pierre; Hermosilla, Isabel; Hussein, Rada; Kern, Josipa; Koch, Sabine; Legre, Yannick; López-Alonso, Victoria; López-Campos, Guillermo; Milanesi, Luciano; Moustakis, Vassilis; Munteanu, Cristian-Robert; Otero, Paula; Pazos, A.; Pérez-Rey, David; Potamias, George; Sanz, Ferrán; Kulikowski, Casimir (Springer, 2012)
      Nanoinformatics has recently emerged to address the need of computing applications at the nano level. In this regard, the authors have participated in various initiatives to identify its concepts, foundations and challenges. ...