Raúl Fernández-Díaz

According to our database, Raúl Fernández-Díaz authored at least 7 papers between 2023 and 2025.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2025

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

Raúl Fernández-Díaz, Rodrigo Ochoa, Thanh Lam Hoang, Vanessa López, Denis C. Shields

J. Cheminformatics, December, 2025

Open and Sustainable AI: challenges, opportunities and the road ahead in the life sciences.

Gavin Farrell, Eleni S. Adamidi, Rafael Andrade Buono, Mihail Anton, Omar Abdelghani Attafi, Salvador Capella-Gutiérrez, Emidio Capriotti, Leyla Jael Castro, Davide Cirillo, Lisa C. Crossman, Christophe Dessimoz, Alexandros C. Dimopoulos, Raúl Fernández-Díaz, Styliani-Christina Fragkouli, Carole A. Goble, Wei Gu, John M. Hancock, Alireza Khanteymoori, Tom Lenaerts, Fabio G. Liberante, Peter Maccallum, Alexander Miguel Monzon, Magnus Palmblad, Lucy Poveda, Ovidiu Radulescu, Denis C. Shields, Shoaib Sufi, Thanasis Vergoulis, Fotis E. Psomopoulos, Silvio C. E. Tosatto

CoRR, May, 2025

Enhancing foundation models for scientific discovery via multimodal knowledge graph representations.

Vanessa López, Thanh Lam Hoang, Marcos Martínez Galindo, Raúl Fernández-Díaz, Marco Luca Sbodio, Rodrigo Ordonez-Hurtado, Mykhaylo Zayats, Natasha Mulligan, Joao H. Bettencourt-Silva

J. Web Semant., 2025

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

Raúl Fernández-Díaz, Hoang Thanh Lam, Vanessa López, Denis C. Shields

Proceedings of the Thirteenth International Conference on Learning Representations, 2025

2024

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

Raúl Fernández-Díaz, Rodrigo Cossio-Pérez, Clement Agoni, Hoang Thanh Lam, Vanessa López, Denis C. Shields

Bioinform., 2024

Knowledge Enhanced Representation Learning for Drug Discovery.

Thanh Lam Hoang, Marco Luca Sbodio, Marcos Martínez Galindo, Mykhaylo Zayats, Raúl Fernández-Díaz, Victor Valls, Gabriele Picco, Cesar Berrospi, Vanessa López

Proceedings of the Thirty-Eighth AAAI Conference on Artificial Intelligence, 2024

2023

Otter-Knowledge: benchmarks of multimodal knowledge graph representation learning from different sources for drug discovery.

Hoang Thanh Lam, Marco Luca Sbodio, Marcos Martínez Galindo, Mykhaylo Zayats, Raúl Fernández-Díaz, Víctor Valls, Gabriele Picco, Cesar Berrospi Ramis, Vanessa López

CoRR, 2023