Machine Learning
Predictive models, experimental evaluation, optimization and robustness analysis.
Research
Applied Artificial Intelligence for scientific and computational problems.
Research driven by computational models, data and reproducible software, with applications in drug discovery, bioinformatics and computer vision.
Research areas
Main themes
These areas organize recurring research topics and connect projects, publications, datasets and software.
Drug discovery
Deep learning and molecular representations for pharmacological classification and prediction.
Bioinformatics and ADMET
Computational modelling, calibration and evaluation of properties relevant to bioactive molecules.
Computer Vision
Visual representations, classification, explainability and image analysis.