Eleni Psaromatis

Eleni Psaromatis

Screening of Pharmaceutical Molecules using Bayesian Optimization

Eleni is an MSc student in Digital Chemistry with AI and Automation at Imperial, whose thesis explores how Pareto-front-guided search can be used for multi-objective molecular optimization in drug discovery. During her time with us, she has worked on SMILES-based variational autoencoders and multi-objective Bayesian optimization to navigate chemical space. Beyond research, she enjoys drawing, board games, and video games.

Interests
  • Machine Learning
  • Molecular Discovery
  • Bayesian Optimization
Education
  • MSc Digital Chemistry with AI and Automation,, 2025-2026

    Imperial College London

  • BSc Chemistry,, 2020-2024

    University of Patras