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

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

Abstract 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 full...

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Bibliographic Details
Main Authors: Gemma Turon, Jason Hlozek, John G. Woodland, Ankur Kumar, Kelly Chibale, Miquel Duran-Frigola
Format: Article
Language:English
Published: Nature Portfolio 2023-09-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-023-41512-2

Internet

https://doi.org/10.1038/s41467-023-41512-2

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