Publications

You can also find my articles on my Google Scholar profile.

First Author

How to build machine learning models able to extrapolate from standard to modified peptides

Published in Journal of Cheminformatics, 2025

BioBrigit, a Hybrid Machine Learning and Knowledge-Based Approach to Model Metal Pathways in Proteins: Application to a Dicopper Tyrosinase

Published in ACS Omega, 2025

A new framework for evaluating model out-of-distribution generalisation for the biochemical domain

Published in The Thirteenth International Conference on Learning Representations, 2025

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

Published in Bioinformatics, 2024

Co-Author

Molecular Modelling in Bioactive Peptide Discovery and Characterisation

Published in Biomolecules, 2025

Enhancing foundation models for scientific discovery via multimodal knowledge graph representations

Published in Journal of Web Semantics, 2025

Knowledge enhanced representation learning for drug discovery

Published in Proceedings of the AAAI Conference on Artificial Intelligence, 2024