Publicaciones (227) Publicaciones en las que ha participado algún/a investigador/a

2022

  1. A Fuzzy System Classification Approach for QSAR Modeling of αAmylase and α-Glucosidase Inhibitors

    Current Computer-Aided Drug Design, Vol. 18, Núm. 7, pp. 469-479

  2. Dual Ligand-Enabled Late-Stage Fujiwara-Moritani Reactions

    Synlett, Vol. 33, Núm. 4, pp. 357-360

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

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

  4. Microwave-assisted palladium catalysed C-H acylation with aldehydes: Synthesis and diversification of 3-acylthiophenes

    Organic and Biomolecular Chemistry, Vol. 20, Núm. 4, pp. 852-861

  5. Multi-output chemometrics model for gasoline compounding

    Fuel, Vol. 310

  6. Palladium-catalyzed oxidative arene C–H alkenylation reactions involving olefins

    Trends in Chemistry, Vol. 4, Núm. 6, pp. 495-511

  7. Prediction of Antileishmanial Compounds: General Model, Preparation, and Evaluation of 2-Acylpyrrole Derivatives

    Journal of chemical information and modeling, Vol. 62, Núm. 16, pp. 3928-3940

  8. Prediction of acute toxicity of pesticides for Americamysis bahia using linear and nonlinear QSTR modelling approaches

    Environmental Research, Vol. 214

  9. 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. New Experimental and Computational Tools for Drug Discovery: Part - XI

    Current topics in medicinal chemistry

  5. New experimental and computational tools for drug discovery. Part – XII

    Current Topics in Medicinal Chemistry

  6. Palladium-mediated synthesis and biological evaluation of C-10b substituted Dihydropyrrolo[1,2-b]isoquinolines as antileishmanial agents

    European Journal of Medicinal Chemistry, Vol. 220

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

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

  8. Predicting metabolic reaction networks with Perturbation-Theory Machine Learning (PTML) models

    Current Topics in Medicinal Chemistry, Vol. 21, Núm. 9, pp. 819-827

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

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

  10. 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

  11. Towards machine learning discovery of dual antibacterial drug-nanoparticle systems

    Nanoscale, Vol. 13, Núm. 42, pp. 17854-17870