Expert Opinion on Drug Discovery, Volume 16, Issue 9 (2021)

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Expert Opinion on Drug Discovery, Volume 16, Issue 9 (2021)

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Artificial Intelligence (AI) in Drug Discovery

Editorial

Editorial
Practical constraints with machine learning in drug discovery
Igor I. Baskin
Pages: 929-931
Published online: 19 Feb 2021
First Page PreviewforPractical constraints with machine learning in drug discovery | Full Text | References | PDF (380.2 KB) | EPUB
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Interview

An insight into artificial intelligence in drug discovery: an interview with Professor Gisbert Schneider
Gisbert Schneider
Pages: 933-935
Published online: 09 Sep 2021
First Page PreviewforAn insight into artificial intelligence in drug discovery: an interview with Professor Gisbert Schneider | Full Text | References | PDF (129.2 KB) | EPUB
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Perspective

Article
Critical assessment of AI in drug discovery
W. Patrick Walters & Regina Barzilay
Pages: 937-947
Published online: 19 Apr 2021
AbstractforCritical assessment of AI in drug discovery | Full Text | References | PDF (388.6 KB) | EPUB
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Review

Artificial intelligence in drug discovery: recent advances and future perspectives
José Jiménez-Luna, Francesca Grisoni, Nils Weskamp & Gisbert Schneider
Pages: 949-959
Published online: 02 Apr 2021
AbstractforArtificial intelligence in drug discovery: recent advances and future perspectives | Full Text | References | PDF (467.5 KB) | EPUB
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Machine learning techniques applied to the drug design and discovery of new antivirals: a brief look over the past decade
Mateus Sá Magalhães Serafim, Valtair Severino dos Santos Júnior, Jadson Castro Gertrudes, Vinícius Gonçalves Maltarollo & Kathia Maria Honorio
Pages: 961-975
Published online: 07 May 2021
AbstractforMachine learning techniques applied to the drug design and discovery of new antivirals: a brief look over the past decade | Full Text | References | PDF (1,015 KB) | EPUB
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Artificial intelligence, machine learning, and drug repurposing in cancer
Ziaurrehman Tanoli, Markus Vähä-Koskela & Tero Aittokallio
Pages: 977-989
Published online: 12 Feb 2021
AbstractforArtificial intelligence, machine learning, and drug repurposing in cancer | Full Text | References | PDF (954.6 KB) | EPUB
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Artificial intelligence in early drug discovery enabling precision medicine
Fabio Boniolo, Emilio Dorigatti, Alexander J. Ohnmacht, Dieter Saur, Benjamin Schubert & Michael P. Menden
Pages: 991-1007
Published online: 02 Jun 2021
AbstractforArtificial intelligence in early drug discovery enabling precision medicine | Full Text | References | PDF (3.9 MB) | EPUB
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Assigning confidence to molecular property prediction
AkshatKumar Nigam, Robert Pollice, Matthew F. D. Hurley, Riley J. Hickman, Matteo Aldeghi, Naruki Yoshikawa, Seyone Chithrananda, Vincent A. Voelz & Alán Aspuru-Guzik
Pages: 1009-1023
Published online: 15 Jun 2021
AbstractforAssigning confidence to molecular property prediction | Full Text | References | PDF (5.7 MB) | EPUB
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Current directions in combining simulation-based macromolecular modeling approaches with deep learning
Vikram Khipple Mulligan
Pages: 1025-1044
Published online: 31 May 2021
AbstractforCurrent directions in combining simulation-based macromolecular modeling approaches with deep learning | Full Text | References | PDF (6.3 MB) | EPUB
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The challenges of generalizability in artificial intelligence for ADME/Tox endpoint and activity prediction
David Z Huang, J. Christian Baber & Sogole Sami Bahmanyar
Pages: 1045-1056
Published online: 19 Mar 2021
AbstractforThe challenges of generalizability in artificial intelligence for ADME/Tox endpoint and activity prediction | Full Text | References | PDF (1.5 MB) | EPUB
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Knowledge graphs and their applications in drug discovery
Finlay MacLean
Pages: 1057-1069
Published online: 12 Apr 2021
AbstractforKnowledge graphs and their applications in drug discovery | Full Text | References | PDF (3.3 MB) | EPUB
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The machine learning life cycle and the cloud: implications for drug discovery
Ola Spjuth, Jens Frid & Andreas Hellander
Pages: 1071-1079
Published online: 31 May 2021
AbstractforThe machine learning life cycle and the cloud: implications for drug discovery | Full Text | References | PDF (2.8 MB) | EPUB
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Correction

Correction
Notice of duplicate publication: What are the practical, ethical and pathobiological considerations in the use of minipigs as an animal model in drug discovery for acute radiation syndrome and delayed effects of acute radiation exposure?
Page: i
Published online: 27 Aug 2021
CitationforNotice of duplicate publication: What are the practical, ethical and pathobiological considerations in the use of minipigs as an animal model in drug discovery for acute radiation syndrome and delayed effects of acute radiation exposure? | Full Text | PDF (100.6 KB) | EPUB
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