Publicaciones en colaboración con investigadores/as de Instituto Biofisika (13)

2024

  1. Identification of Riluzole derivatives as novel calmodulin inhibitors with neuroprotective activity by a joint synthesis, biosensor, and computational guided strategy

    Biomedicine and Pharmacotherapy, Vol. 174

  2. Multi-Endpoint Acute Toxicity Assessment of Organic Compounds Using Large-Scale Machine Learning Modeling

    Environmental Science and Technology, Vol. 58, Núm. 23, pp. 10116-10127

  3. NANO.PTML model for read-across prediction of nanosystems in neurosciences. computational model and experimental case of study

    Journal of Nanobiotechnology, Vol. 22, Núm. 1

  4. On the additive artificial intelligence-based discovery of nanoparticle neurodegenerative disease drug delivery systems

    Beilstein Journal of Nanotechnology, Vol. 15, pp. 535-555

  5. OptiMo-LDLr: An Integrated In Silico Model with Enhanced Predictive Power for LDL Receptor Variants, Unraveling Hot Spot Pathogenic Residues

    Advanced Science, Vol. 11, Núm. 13

2022

  1. Machine Learning Study of Metabolic Networks vs ChEMBL Data of Antibacterial Compounds

    Molecular Pharmaceutics, Vol. 19, Núm. 7, pp. 2151-2163

  2. Multi-output chemometrics model for gasoline compounding

    Fuel, Vol. 310

  3. Towards rational nanomaterial design by predicting drug-nanoparticle system interaction vs. bacterial metabolic networks

    Environmental Science: Nano, Vol. 9, Núm. 4, pp. 1391-1413

2021

  1. Ifptml mapping of drug graphs with protein and chromosome structural networks vs. Pre‐clinical assay information for discovery of antimalarial compounds

    International Journal of Molecular Sciences, Vol. 22, Núm. 23

  2. MLb-LDLr: A Machine Learning Model for Predicting the Pathogenicity of LDLr Missense Variants

    JACC: Basic to Translational Science, Vol. 6, Núm. 11, pp. 815-827

  3. Molecular docking, SAR analysis and biophysical approaches in the study of the antibacterial activity of ceramides isolated from Cissus incisa

    Bioorganic Chemistry, Vol. 109

  4. Pd(II)-Catalyzed Fujiwara-Moritani Reactions for the Synthesis and Functionalization of Substituted Coumarins

    ACS Omega, Vol. 6, Núm. 44, pp. 29483-29494

  5. Prediction of anti-glioblastoma drug-decorated nanoparticle delivery systems using molecular descriptors and machine learning

    International Journal of Molecular Sciences, Vol. 22, Núm. 21