Publicacións en colaboración con investigadores/as de Universidade de Santiago de Compostela (56)

2021

  1. Synthesis, Pharmacological, and Biological Evaluation of 2-Furoyl-Based MIF-1 Peptidomimetics and the Development of a General-Purpose Model for Allosteric Modulators (ALLOPTML)

    ACS Chemical Neuroscience, Vol. 12, Núm. 1, pp. 203-215

2020

  1. Discovery of novel immunopharmacological ligands targeting the IL-17 inflammatory pathway

    International Immunopharmacology, Vol. 89

2019

  1. Perturbation Theory Machine Learning Modeling of Immunotoxicity for Drugs Targeting Inflammatory Cytokines and Study of the Antimicrobial G1 Using Cytometric Bead Arrays

    Chemical Research in Toxicology, Vol. 32, Núm. 9, pp. 1811-1823

2018

  1. Perturbation Theory/Machine Learning Model of ChEMBL Data for Dopamine Targets: Docking, Synthesis, and Assay of New l -Prolyl- l -leucyl-glycinamide Peptidomimetics

    ACS Chemical Neuroscience, Vol. 9, Núm. 11, pp. 2572-2587

  2. Using artificial neural networks for identifying patients with mild cognitive impairment associated with depression using neuropsychological test features

    Applied Sciences (Switzerland), Vol. 8, Núm. 9

2016

  1. Erratum: "accurate intermolecular ground-state potential-energy surfaces of the HCCH-He, Ne, and Ar van der Waals complexes" (Journal of Chemical Physics (2005) 123 (014309)

    Journal of Chemical Physics

  2. Microemulsions for colorectal cancer treatments. General considerations and formulation of methotrexate

    Mini-Reviews in Medicinal Chemistry, Vol. 16, Núm. 6, pp. 498-508

2015

  1. Bio-AIMS collection of chemoinformatics web tools based on molecular graph information and Artificial Intelligence Models

    Combinatorial Chemistry and High Throughput Screening, Vol. 18, Núm. 8, pp. 735-750

  2. Genetic programming and floating boom performance

    Ocean Engineering, Vol. 104, pp. 310-318

  3. MI-NODES multiscale models of metabolic reactions, brain connectome, ecological, epidemic, world trade, and legal-social networks

    Current Bioinformatics, Vol. 10, Núm. 5, pp. 692-713

  4. MIANN models of networks of biochemical reactions, ecosystems, and U.S. supreme court with Balaban-Markov indices

    Current Bioinformatics, Vol. 10, Núm. 5, pp. 658-671

  5. Mapping chemical structure-activity information of HAART-drug cocktails over complex networks of AIDS epidemiology and socioeconomic data of U.S. counties

    BioSystems, Vol. 132-133, pp. 20-34

2014

  1. ANN multiscale model of Anti-HIV drugs activity vs AIDS prevalence in the US at county level based on information indices of molecular graphs and social networks

    Journal of Chemical Information and Modeling, Vol. 54, Núm. 3, pp. 744-755

  2. LECTINPred: Web server that uses complex networks of protein structure for prediction of lectins with potential use as cancer biomarkers or in parasite vaccine design

    Molecular Informatics, Vol. 33, Núm. 4, pp. 276-285

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

    Chemometrics and Intelligent Laboratory Systems, Vol. 138, pp. 161-170

  4. Modeling complex metabolic reactions, ecological systems, and financial and legal networks with MIANN models based on Markov-Wiener node descriptors

    Journal of Chemical Information and Modeling, Vol. 54, Núm. 1, pp. 16-29

  5. Performance of artificial neural networks in nearshore wave power prediction

    Applied Soft Computing Journal, Vol. 23, pp. 194-201

2013

  1. He-, Ne-, and Ar-phosgene intermolecular potential energy surfaces

    Journal of Physical Chemistry A, Vol. 117, Núm. 18, pp. 3835-3843

  2. MIANN models in medicinal, Physical and Organic Chemistry

    Current Topics in Medicinal Chemistry, Vol. 13, Núm. 5, pp. 619-641

  3. Markov-Randić indices for QSPR re-evaluation of metabolic, parasite-host, fasciolosis spreading, brain cortex and legal-social complex networks

    Current Bioinformatics, Vol. 8, Núm. 4, pp. 401-415