Artificial intelligence in drug design: why a ‘one-size-fits-all’ approach remains out of reach

Despite major advancements, AI fails to reach its full potential due to issues related to data quality, model complexity, computational costs, and organizational barriers. At present, the effectiveness of any AI approach heavily depends on its application. Ultimately, while the world strives for a general-purpose AI, no method in drug discovery can yet be considered universally applicable, and rather than relying on a one-size-fits-all solution, individual trade-offs and research objectives need to be carefully aligned to harness AI's potential in drug discovery.