Artificial intelligence (AI) tools are increasingly being applied in drug discovery. While some protagonists point to vast opportunities potentially offered by such tools, others remain sceptical, waiting for a clear impact to be shown in drug discovery projects. The reality is probably somewhere between these extremes, but it is clear that AI is providing new challenges not only for the scientists involved but also for the biopharma industry and its established processes for discovering and developing new medicines. This unique Perspective published in Nature Reviews Drug Discovery is based on discussions around five grand challenges for AI in drug discovery among a group of diverse international experts at a meeting in 2018 on rethinking drug design with AI and presents the main conclusions drawn as well as a discussion on advances since then.
Schneider P., Walters W., Plowright A., Sieroka N., Listgarten J., Goodnow R., Fisher J., Jansen J., Duca J., Rush T., Zentgraf M., Hill J., Krutoholow E., Kohler M., Blaney J., Funatsu K., Luebkemann C., Schneider G. Rethinking drug design in the artificial intelligence era. Nat. Rev. Drug Discov. (2019) doi:10.1038/s41573-019-0050-3