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Rethinking drug design in the artificial intelligence era.
Nature Reviews Drug Discovery ( IF 120.1 ) Pub Date : 2019-12-04 , DOI: 10.1038/s41573-019-0050-3 Petra Schneider 1 , W Patrick Walters 2 , Alleyn T Plowright 3 , Norman Sieroka 4 , Jennifer Listgarten 5 , Robert A Goodnow 6 , Jasmin Fisher 7, 8 , Johanna M Jansen 9 , José S Duca 10 , Thomas S Rush 11 , Matthias Zentgraf 12 , John Edward Hill 13 , Elizabeth Krutoholow 14 , Matthias Kohler 15 , Jeff Blaney 16 , Kimito Funatsu 17, 18 , Chris Luebkemann 1, 19 , Gisbert Schneider 1
Nature Reviews Drug Discovery ( IF 120.1 ) Pub Date : 2019-12-04 , DOI: 10.1038/s41573-019-0050-3 Petra Schneider 1 , W Patrick Walters 2 , Alleyn T Plowright 3 , Norman Sieroka 4 , Jennifer Listgarten 5 , Robert A Goodnow 6 , Jasmin Fisher 7, 8 , Johanna M Jansen 9 , José S Duca 10 , Thomas S Rush 11 , Matthias Zentgraf 12 , John Edward Hill 13 , Elizabeth Krutoholow 14 , Matthias Kohler 15 , Jeff Blaney 16 , Kimito Funatsu 17, 18 , Chris Luebkemann 1, 19 , Gisbert Schneider 1
Affiliation
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.
中文翻译:
重新思考人工智能时代的药物设计。
人工智能 (AI) 工具越来越多地应用于药物发现。虽然一些主角指出此类工具可能提供的巨大机会,但其他人仍然持怀疑态度,等待药物发现项目显示出明显的影响。现实可能介于这两个极端之间,但很明显,人工智能不仅为所涉及的科学家,而且为生物制药行业及其发现和开发新药的既定流程带来了新的挑战。本文介绍了不同的国际专家小组对使用 AI 发现小分子药物的“重大挑战”以及解决这些问题的方法的看法。
更新日期:2019-12-05
中文翻译:
重新思考人工智能时代的药物设计。
人工智能 (AI) 工具越来越多地应用于药物发现。虽然一些主角指出此类工具可能提供的巨大机会,但其他人仍然持怀疑态度,等待药物发现项目显示出明显的影响。现实可能介于这两个极端之间,但很明显,人工智能不仅为所涉及的科学家,而且为生物制药行业及其发现和开发新药的既定流程带来了新的挑战。本文介绍了不同的国际专家小组对使用 AI 发现小分子药物的“重大挑战”以及解决这些问题的方法的看法。