First fully-automated AI/ML virtual screening cascade implemented at a drug discovery centre in Africa

Streamlined data-driven drug discovery remains challenging, especially in resource-limited settings. We present ZairaChem, an artificial intelligence (AI)- and machine learning (ML)-based tool for quantitative structure-activity/property relationship (QSAR/QSPR) modelling. ZairaChem is fully automat...

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Detalles Bibliográficos
Autores principales: Turon, Gemma, Hlozek, Jason, Woodland, John G., Kumar, Ankur, Chibale, Kelly, Duran-Frigola, Miquel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10504240/
https://www.ncbi.nlm.nih.gov/pubmed/37714843
http://dx.doi.org/10.1038/s41467-023-41512-2

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10504240/
https://www.ncbi.nlm.nih.gov/pubmed/37714843
http://dx.doi.org/10.1038/s41467-023-41512-2

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