Petra Schneider; W. Patrick Walters; Alleyn T. Plowright; Norman Sieroka; Jennifer Listgarten; Robert A. Goodnow Jr.; Jasmin Fisher; Johanna M. Jansen; José S. Duca; Thomas S. Rush; Matthias Zentgraf; John Edward Hill; Elizabeth Krutoholow; Matthias Kohler; Jeff Blaney; Kimito Funatsu; Chris Luebkemann; Gisbert Schneider
Nat. Rev. Drug Discov., 2020, 19(5), 353-364
https://doi.org/10.1038/s41573-019-0050-3

Abstract

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 in-between these extremes, yet 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 article presents the views of a diverse group of international experts on the ‘grand challenges’ in small-molecule drug discovery with AI and the approaches to address them.