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Rethinking drug design in the artificial intelligence era

Schneider, P; Walters, WP; Plowright, AT; Sieroka, N; Listgarten, J; Goodnow, RA; Fisher, J; ... Schneider, G; + view all (2020) Rethinking drug design in the artificial intelligence era. Nature Reviews Drug Discovery , 19 pp. 353-364. 10.1038/s41573-019-0050-3. Green open access

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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.

Type: Article
Title: Rethinking drug design in the artificial intelligence era
Location: England
Open access status: An open access version is available from UCL Discovery
DOI: 10.1038/s41573-019-0050-3
Publisher version: https://doi.org/10.1038/s41573-019-0050-3
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions.
Keywords: Computational chemistry, Drug development, Drug screening, Drug therapy, Small molecules
UCL classification: UCL
UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Medical Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Medical Sciences > Cancer Institute
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Medical Sciences > Cancer Institute > Research Department of Pathology
URI: https://discovery.ucl.ac.uk/id/eprint/10089268
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