Machine Learning in Life Sciences Laboratory
We are a multidisciplinary team of computer scientists, biologists, and bioinformaticians using machine learning to interpret complex omic data in cancer, infection, and metabolic disease. Our work is currently supported by the national project PRECISION (PID2024-162441OA-I00), on explainable graph neural networks for triple-negative breast cancer, and by the Interreg SUDOE project RePo-SUDOE, on transnational drug repurposing infrastructure.
Research Lines
We develop and apply machine learning and deep learning models, together with explainable AI techniques, to interpret tumor biology from bulk and single-cell transcriptomics. Our focus is triple-negative breast cancer and other hard-to-treat subtypes, where interpretable models help identify therapeutic targets, characterize resistance mechanisms, and guide translational decisions.
We develop computational workflows for drug repurposing based on docking, pharmacogenomics, transcriptomic signatures, and structure-based target prioritization. Within the RePo-SUDOE transnational network we operate three public platforms: RePo-EDU for educational resources and training materials, RePo-VRE as a virtual research environment for drug repurposing, and RePo-BOT as an automated assistant for project queries. In PRECISION we apply graph learning to prioritize novel targets and repositioning opportunities in oncology.
We build ML pipelines to analyze 16S and shotgun microbiome data in inflammatory bowel disease, type 1 and type 2 diabetes, preterm birth, and vaginal microbiota. In parallel, we study antimicrobial resistance in nosocomial pathogens, with ongoing work on Acinetobacter and Klebsiella pneumoniae genomics, surveillance, and clinical outcome prediction.
We combine genomics, transcriptomics, proteomics, and single-cell data to study molecular interactions across biological layers. We also integrate medical imaging and protein structural information into the same modeling pipelines, improving diagnosis and prognostic modeling in complex diseases.
news
| Oct 28, 2026 | New collaboration preprint on bioRxiv with the CellCOM group: Dual Role of Cx43 in Enhancing CDK4/6 Inhibitor Response and Promoting the Elimination of Therapy-Induced Senescent Tumor Cells |
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| Sep 30, 2026 | Paula Guijarro Sánchez successfully defended her PhD thesis “Desarrollo de metodologías bioinformáticas para el análisis genómico de la resistencia a antibióticos en Acinetobacter spp. y Klebsiella pneumoniae: estudios nacionales e implicaciones para la vigilancia activa en entornos hospitalarios”, earning the highest grade (Sobresaliente Cum Laude). Congratulations, Dr. Guijarro Sánchez! UDC thesis record |
| Sep 14, 2026 | New preprint on bioRxiv: Heterogeneous graph neural networks with biological prior knowledge for interpretable drug repurposing in triple-negative breast cancer |
| Aug 13, 2026 | New conference contribution at RExPO26 (REPO4EU Annual Conference): RePo-SUDOE – Advances on the transnational network for drug repurposing in the SUDOE space |
| Apr 17, 2026 | Raúl Mouzo Quiza has won the First Prize at the XI Premios TFG Aplicado del GEI for his work “Plataforma integrada para la simulación de docking molecular y el análisis de firmas genéticas en entornos HPC y cloud”. Congratulations! |
selected publications
- Heterogeneous graph neural networks with biological prior knowledge for interpretable drug repurposing in triple-negative breast cancerbioRxiv, 2026Preprint
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Interpretable inflammation landscape of circulating immune cellsNature Medicine, 2026Q1, D1, 1/1195 MR&E, 50 IF -
Cx43 enhances response to BRAF/MEK inhibitors by reducing DNA repair capacityNature Communications , 2025Q1, D1, 10/136 MS, 15.7 IF -
A review on machine learning approaches and trends in drug discoveryComputational and Structural Biotechnology Journal, Aug 2021Q1, 70/297 BIO-MB, 6.155 IF