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The race to meet the challenges of the global pandemic has served as a reminder that the existing drug discovery process is expensive, inefficient and slow. There is a major bottleneck screening the vast number of potential small molecules to shortlist lead compounds for antiviral drug development. New opportunities to accelerate drug discovery lie at the interface between machine learning methods, in this case, developed for linear accelerators, and physics-based methods. The two in silicodoi:10.1098/rsfs.2021.0018 pmid:34956592 pmcid:PMC8504892 fatcat:rvalq6bwkfcmfapzwnowova6se