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MILA-Québec AI Institute, Université de Montréal, Montreal, Quebec, Canada, MILA—Québec AI Institute, Université de Montréal, Montreal, Quebec, Canada, Mila – Quebec AI Institute, Université de Montréal
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This work integrates small-molecule high-throughput screening with a deep-learning-based virtual screening approach to uncover new antibacterial compounds, illustrating a 90-fold improved hit rate over the high-throughput screening experiment used for training.