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Scientific publications

Check our scientific contributions in the fields of AI, drug discovery and global health.

YEAR

CITATION

TOPIC

TYPE

PUBLICATIONS

2025
Poisot et al, Ten quick tips to build a model life cycle, Plos Computational Biology, 2025
Bioinformatics
Review
2025
Turon et al, AI coupled to pharmacometric modelling to tailor malaria and tuberculosis treatment in Africa, Nature Communications, 2025
Bioinformatics
Research
2025
Raimondi et al, Learning and actioning general principles of cancer cell drug sensitivity, Nature Communications, 2025
Bioinformatics
Research
2025
Turon et al, Addressing infectious diseases in Africaby accelerating drug discovery throughdata science, Communications Medicine, 2025
Chemoinformatics
Review
2024
Turon et al, The path to adoption of open source AI for drug discovery in Africa, Artificial Intelligence in the Life Sciences, 2024
Chemoinformatics
Review
2024
Betow et al, The chemical space spanned by manually curated datasets of natural and synthetic compounds with activities against SARS-CoV-2, Molecular Informatics, 2024
Chemoinformatics
Research
2024
Turon et al, Infectious disease research laboratories in Africa are not using AI yet: large language models may facilitate adoption, ACS Infectious Diseases, 2024
Chemoinformatics
Review
2024
Turon et al, Open source code contributions to global health: the case of antimalarial drug discovery, ACS Medicinal Chemistry Letters, 2024
Chemoinformatics
Research
2024
Ntie-Kang et al, The workshops on computational applications in secondary metabolite discovery (CAiSMD), Physical Sciences Reviews, 2024
Chemoinformatics
Review
2024
Offensperger et al, Large-scale chemoproteomics expedites ligand discovery and predicts ligand behavior in cells, Science, 2024
Chemoinformatics
Research
2024
Turon et al, AI can help to tailor drugs for Africa — but Africans should lead the way, Nature, 2024
Chemoinformatics
Review
2023
Gomes et al, Endothelial transcriptomic analysis identifies biomarkers of severe and cerebral malaria, JCI Insights, 2023
Medical Informatics
Research
2023
Vasquez et al, Xanthine oxidase levels and immune dysregulation are independently associated with anemia in Plasmodium falciparum malaria, Scientific Reports, 2023
Medical Informatics
Research
2023
Van Heerden et al, Machine learning approaches identify chemical features for stage-specific antimalarial compounds, ACS Omega, 2023
Chemoinformatics
Research
2023
Bassat et al, Causes of death among infants and children in the Child Health and Mortality Prevention Surveillance (CHAMPS) network
Medical Informatics
Research
2023
Duran-Frigola et al, Advancing targeted protein degradation via multiomics profiling and artificial intelligence, JACS, 2023
Chemoinformatics
Review
2023
Turon et al, First fully-automated AI/ML virtual screening cascade implemented at a drug discovery centre in Africa, Nature Communications, 2023
Chemoinformatics
Research
2022
Namba-Nzanguim et al, Artificial intelligence for antiviral drug discovery in low resourced settings: A perspective, Frontiers in Drug Discovery, 2022
Chemoinformatics
Review
2022
Tovar-Acero et al, IL-4, IL-10, CCL2 and TGF-beta as potential biomarkers for severity in Plasmodium vivax malaria, Plos Neglected Tropical Diseases, 2022
Medical Informatics
Research
2022
Bajorath et al, Chemoinformatics and Artificial Intelligence Colloquium: progress and challenges to develop bioactive compounds, Journal of Cheminformatics, 2022
Chemoinformatics
Review
2022
Fernandez-Torras et al, Integrating and formatting biomedical data as pre-calculated knowledge graph embeddings in the Bioteque, Nature Communications, 2022
Bioinformatics
Research
2022
Pry et al, Evaluation of kidney function among people living with HIV initiating antiretroviral therapy in Zambia, Plos Global Health, 2022
Medical Informatics
Research
2021
Fernandez-Torras et al, Connecting chemistry and biology through molecular descriptors, Current Opinion in Chemical Biology, 2021
Bioinformatics
Review
2021
Ntie-Kang et al, Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop, Journal of Cheminformatics, 2021
Chemoinformatics
Review
2021
Pry et al, Cervical cancer screening outcomes in Zambia, 2010–19: a cohort study, The Lancet Global Health, 2021
Medical Informatics
Research
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