• Mapping networks of anti-HIV drug cocktails vs. AIDS epidemiology in the US counties 

      Herrera-Ibatá, Diana María; Pazos, A.; Orbegozo-Medina, Ricardo Alfredo; González-Díaz, Humberto (Elsevier, 2014-08-20)
      [Abstract] The implementation of the highly active antiretroviral therapy (HAART) and the combination of anti-HIV drugs have resulted in longer survival and a better quality of life for the people infected with the virus. ...
    • Markov Mean Properties for Cell Death-Related Protein Classification 

      Fernández-Lozano, Carlos; Gestal, M.; González-Díaz, Humberto; Dorado, Julián; Pazos, A.; Munteanu, Cristian-Robert (Elsevier, 2014-01-31)
      [Abstract] The cell death (CD) is a dynamic biological function involved in physiological and pathological processes. Due to the complexity of CD, there is a demand for fast theoretical methods that can help to find new ...
    • MATEO: intermolecular α-amidoalkylation theoretical enantioselectivity optimization. Online tool for selection and design of chiral catalysts and products 

      Carracedo-Reboredo, Paula; Aranzamendi, Eider; He, Shan; Arrasate, Sonia; Munteanu, Cristian-Robert; Fernández-Lozano, Carlos; Sotomayor, Nuria; Lete, Esther; González-Díaz, Humberto (BMC, 2024-01-23)
      [Absctract]: The enantioselective Brønsted acid-catalyzed α-amidoalkylation reaction is a useful procedure is for the production of new drugs and natural products. In this context, Chiral Phosphoric Acid (CPA) catalysts ...
    • Mechanical Hyperalgesia but Not Forward Shoulder Posture Is Associated with Shoulder Pain in Volleyball Players: A Cross-Sectional Study 

      Pecos-Martín, Daniel; Patiño Núñez, Sergio; Quintero Pérez, Jessica; Cruz Riesco, Gema; Quevedo Socas, Cintia; Gallego Izquierdo, Tomás; Fernández-Carnero; Beltrán, Héctor; Fernández-Carnero, Josué (MDPI, 2022)
      [Abstract] Shoulder antepulsion, altered scapular kinematics and imbalance of muscle activity are commonly associated with shoulder pain. This study aimed to observe if there is an association between the forward shoulder ...
    • MI-NODES multiscale models of metabolic reactions, brain connectome, ecological, epidemic, world trade, and legal-social networks 

      Duardo-Sánchez, Aliuska; González-Díaz, Humberto; Pazos, A. (Bentham, 2015)
      [Abstract] Complex systems and networks appear in almost all areas of reality. We find then from proteins residue networks to Protein Interaction Networks (PINs). Chemical reactions form Metabolic Reactions Networks (MRNs) ...
    • MIANN models in medicinal, physical and organic chemistry 

      González-Díaz, Humberto; Arrasate, Sonia; Sotomayor, Nuria; Lete, Esther; Munteanu, Cristian-Robert; Pazos, A.; Besada-Porto, Lina; Ruso, Juan M. (Bentham, 2013)
      [Abstract] Reducing costs in terms of time, animal sacrifice, and material resources with computational methods has become a promising goal in Medicinal, Biological, Physical and Organic Chemistry. There are many computational ...
    • MIANN models of networks of biochemical reactions, ecosystems, and U.S. Supreme Court with Balaban-Markov indices 

      Duardo-Sánchez, Aliuska; González-Díaz, Humberto; Pazos, A. (Bentham Science, 2015)
      [Abstract] We can use Artificial Neural Networks (ANNs) and graph Topological Indices (TIs) to seek structure-property relationship. Balabans’ J index is one of the classic TIs for chemo-informatics studies. We used here ...
    • Microemulsions for colorectal cancer treatments: general considerations and formulation of methotrexate 

      Flores, Sergio E.; Rial-Hermida, M.Isabel; Ramírez, Jorge C.; Pazos, A.; Concheiro, Ángel; Álvarez-Lorenzo, Carmen; Peralta, René D. (Bentham, 2016-04-01)
      [Abstract] Microemulsions combine the advantages of emulsions with those of nanocarriers, overcoming the stability problems of the former and providing facile scalable systems with compartments adequate for high drug ...
    • Modeling complex metabolic reactions, ecological systems, and financial and legal networks with MIANN models based on Markov-Wiener node descriptors 

      Duardo-Sánchez, Aliuska; Munteanu, Cristian-Robert; Riera-Fernández, Pablo; López-Díaz, Antonio; Pazos, A.; González-Díaz, Humberto (American Chemical Society, 2013-12-08)
      [Abstract] The use of numerical parameters in Complex Network analysis is expanding to new fields of application. At a molecular level, we can use them to describe the molecular structure of chemical entities, protein ...
    • Modeling of energy efficiency for residential buildings using artificial neuronal networks 

      Álvarez Díaz, José Antonio; Rabuñal, Juan R.; García-Vidaurrázaga, María D.; Alvarellos, Alberto; Pazos, A. (Hindawi, 2018-11-28)
      [Abstract] Increasing the energy efficiency of buildings is a strategic objective in the European Union, and it is the main reason why numerous studies have been carried out to evaluate and reduce energy consumption in the ...
    • Molecular Docking and Machine Learning Analysis of Abemaciclib in Colon Cancer 

      Liñares Blanco, Jose; Munteanu, Cristian-Robert; Pazos, A.; Fernández-Lozano, Carlos (BioMed Central Ltd., 2020-07-08)
      [Abstract] Background - The main challenge in cancer research is the identification of different omic variables that present a prognostic value and personalised diagnosis for each tumour. The fact that the diagnosis is ...
    • 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. ...
    • NCBO Ontology Recommender 2.0: an enhanced approach for biomedical ontology recommendation 

      Martínez-Romero, Marcos; Jonquet, Clement; O'Connor, Martin J.; Graybeal, John; Pazos, A.; Musen, Mark A. (BioMed Central, 2017-06-07)
      [Abstract] Background. Ontologies and controlled terminologies have become increasingly important in biomedical research. Researchers use ontologies to annotate their data with ontology terms, enabling better data ...
    • Needs, demands and reality of people with neuromuscular disorders users of wheelchair 

      Pousada, Thais; Pereira-Loureiro, Javier; Díez, Emiliano; Groba, Betania; Nieto-Riveiro, Laura; Pazos, A. (Crimson, 2017-11-13)
      Background: The progressive nature of neuromuscular disease (NMD) results in a reduction in mobility: a person’s ability to move about, or locomotion. Wheelchair is an assistive technology device (AT) that is fundamental ...
    • Net-net Auto machine learning (AutoML) prediction of complex ecosystems 

      Barreiro, Enrique; Munteanu, Cristian-Robert; Cruz-Monteagudo, Maykel; Pazos, A.; González-Díaz, Humberto (Nature, 2018-08-17)
      [Abstract] Biological Ecosystem Networks (BENs) are webs of biological species (nodes) establishing trophic relationships (links). Experimental confirmation of all possible links is difficult and generates a huge volume ...
    • Net-Net AutoML Selection of Artificial Neural Network Topology for Brain Connectome Prediction 

      Barreiro, Enrique; Munteanu, Cristian-Robert; Gestal, M.; Rabuñal, Juan R.; Pazos, A.; González-Díaz, Humberto; Dorado, Julián (MDPI, 2020-02-14)
      [Abstract] Brain Connectome Networks (BCNs) are defined by brain cortex regions (nodes) interacting with others by electrophysiological co-activation (edges). The experimental prediction of new interactions in BCNs ...
    • New machine learning approaches for real-life human activity recognition using smartphone sensor-based data 

      García-González, Daniel; Rivero, Daniel; Fernández-Blanco, Enrique; Rodríguez Luaces, Miguel (Elsevier B.V., 2023)
      [Abstract]: In recent years, mainly due to the application of smartphones in this area, research in human activity recognition (HAR) has shown a continuous and steady growth. Thanks to its wide range of sensors, its size, ...
    • OncoOmics approaches to reveal essential genes in breast cancer: a panoramic view from pathogenesis to precision medicine 

      López-Cortés, Andrés; Paz-y-Miño, César; Guerrero, Santiago; Cabrera-Andrade, Alejandro; Munteanu, Cristian-Robert; González-Díaz, Humberto; Pazos, A.; Pérez-Castillo, Yunierkis; Tejera, Eduardo; Barigye, Stephen J. (Springer Nature, 2020-03-24)
      [Abstract] Breast cancer (BC) is the leading cause of cancer-related death among women and the most commonly diagnosed cancer worldwide. Although in recent years large-scale efforts have focused on identifying new therapeutic ...
    • Ontologies in medicinal chemistry: current status and future challenges 

      Gómez-Pérez, Asunción; Martínez-Romero, Marcos; Rodríguez-González, Alejandro; Vázquez, Guillermo; Vázquez-Naya, José (Bentham Science, 2013)
      [Abstract] Recent years have seen a dramatic increase in the amount and availability of data in the diverse areas of medicinal chemistry, making it possible to achieve significant advances in fields such as the design, ...
    • Operational thresholds of moored ships at the oil terminal of inner port of A Coruña (Spain) 

      Figuero, A.; Sande, José; Peña González, Enrique; Alvarellos, Alberto; Rabuñal, Juan R.; Maciñeira, Enrique (Elsevier, 2019-12-21)
      [Abstract] Minimizing the stay of a vessel in port can lead to improvements in harbor efficiency. Currently, downtimes of cargo operations or their performance reduction because of excessive vessel motion are especially ...