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Review

Artificial intelligence in drug discovery - what it is, where we stand and the path forward.

Andreas Bender Morgan C. Thomas J. Scannell D. Shaywitz Gian Marco Ghiandoni Joe G. Greener L. Pruteanu Rachel DeVay Jacobson Koichi Handa Mariko Hirano Srijit Seal Manas Mahale Marco F. Schmidt Tim Ahfeldt Francesca Grisoni I. Cortés-Ciriano
Aug 2026 · Nature reviews. Drug discovery · 10 citations · 181 references
Medicine

TL;DR

Recommendations are provided for the development of AI in drug discovery with the aim of increasing its translational relevance, including benchmarking studies of AI tools in drug discovery need to move on from model validation and instead focus on their ability to improve decision making.

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