Raúl Fernández Díaz

Publications

• Analysis of docking for binding affinity prediction

  • • Raúl Fernández Díaz
    • Denis Shields
    • et al.
  • 2024
  • ACS Fall 2024

• MorganGen: Generative Modeling of SMILES Using Morgan Fingerprint Features

  • • Lam Thanh Hoang
    • Raúl Fernández Díaz
    • et al.
  • 2024
  • ACS Fall 2024

• Generative Network for Schroedinger Equation

  • • Lam Thanh Hoang
    • Marcos Martínez Galindo
    • et al.
  • 2024
  • ACS Fall 2024

• Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistry

  • • Raúl Fernández Díaz
    • Lam Thanh Hoang
    • et al.
  • 2024
  • ACS Fall 2024

• AutoPeptideML: A study on how to build more trustworthy peptide bioactivity predictors

  • • Raúl Fernández Díaz
    • Rodrigo Cossio-pérez
    • et al.
  • 2024
  • ISMB 2024

• Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistry

  • • Raúl Fernández Díaz
    • Lam Thanh Hoang
    • et al.
  • 2024
  • ISMB 2024

• Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistry

  • • Raúl Fernández Díaz
    • Lam Thanh Hoang
    • et al.
  • 2024
  • MoML 2024

• Models that learn the language of molecules and how to use them to predict their properties

  • • Raúl Fernández Díaz
  • 2024
  • SECUAH 2024

• Knowledge enhanced representation learning for drug discovery

  • • Lam Thanh Hoang
    • Marco Luca Sbodio
    • et al.
  • 2024
  • AAAI 2024

• AutoPeptideML: An Automated Machine Learning Method for Building Peptide Bioactivity Predictors Leveraging Protein Language Models

  • • Raúl Fernández Díaz
    • Rodrigo Cossio-pérez
    • et al.
  • 2023
  • ICBG 2023