AutoPeptideML: A study on how to build more trustworthy peptide bioactivity predictorsRaúl Fernández DíazRodrigo Cossio-pérezet al.2024Bioinformatics
Analysis of docking for binding affinity predictionRaúl Fernández DíazDenis Shieldset al.2024ACS Fall 2024
MorganGen: Generative Modeling of SMILES Using Morgan Fingerprint FeaturesLam Thanh HoangRaúl Fernández Díazet al.2024ACS Fall 2024
Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistryRaúl Fernández DíazLam Thanh Hoanget al.2024ACS Fall 2024
AutoPeptideML: A study on how to build more trustworthy peptide bioactivity predictorsRaúl Fernández DíazRodrigo Cossio-pérezet al.2024ISMB 2024
Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistryRaúl Fernández DíazLam Thanh Hoanget al.2024ISMB 2024
Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistryRaúl Fernández DíazLam Thanh Hoanget al.2024MoML 2024
Models that learn the language of molecules and how to use them to predict their propertiesRaúl Fernández Díaz2024SECUAH 2024
Knowledge enhanced representation learning for drug discoveryLam Thanh HoangMarco Luca Sbodioet al.2024AAAI 2024
AutoPeptideML: An Automated Machine Learning Method for Building Peptide Bioactivity Predictors Leveraging Protein Language ModelsRaúl Fernández DíazRodrigo Cossio-pérezet al.2023ICBG 2023
VLVanessa Lopez GarciaSenior Research Scientist and Manager, AI for Health and Social Care, Master inventor