A Deep Learning Approach to Antibiotic Discovery
Jonathan M. Stokes,Kevin Yang,Kyle Swanson,Wengong Jin,Andres Cubillos-Ruiz,Nina M. Donghia,Craig R. MacNair,Shawn French,Lindsey A. Carfrae,Zohar Bloom-Ackermann,Victoria M. Tran,Anush Chiappino-Pepe,Ahmed H. Badran,Ian W. Andrews,Ian W. Andrews,Ian W. Andrews,Emma J. Chory,George M. Church,Eric D. Brown,Tommi S. Jaakkola,Regina Barzilay,James J. Collins +21 more
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TLDR
A deep neural network capable of predicting molecules with antibacterial activity is trained and a molecule from the Drug Repurposing Hub-halicin- is discovered that is structurally divergent from conventional antibiotics and displays bactericidal activity against a wide phylogenetic spectrum of pathogens.About:
This article is published in Cell.The article was published on 2020-02-20 and is currently open access. It has received 1002 citations till now.read more
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Quantum machine learning framework for virtual screening in drug discovery: a prospective quantum advantage
Stefano Mensa,Emrehan Kutlug Sahin,Francesco Tacchino,Panagiotis Kl Barkoutsos,Ivano Tavernelli +4 more
TL;DR: This paper heuristically proves that the quantum integrated work can, at least in some relevant instances, provide a tangible advantage compared to state-of-art classical algorithms operating on the same datasets, showing strong dependence on target and features selection method.
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Resistance looms for KRAS G12C inhibitors and rational tackling strategies
TL;DR: In this article , the authors discuss the recent resistance looms for KRAS G12C inhibitors, focusing on their clinical trials and comprehensively interrogate and underscore the necessity of incorporating genomic analyses into the clinical investigation to further decipher resistance mechanisms.
Proceedings ArticleDOI
Ordered Subgraph Aggregation Networks
TL;DR: It is shown that increasing subgraph size always increases the expressive power and a better understanding of their limitations is developed by relating them to the established k - WL hierarchy.
Posted ContentDOI
A Transferable Deep Learning Approach to Fast Screen Potent Antiviral Drugs against SARS-CoV-2
TL;DR: The directed message passing neural network model is highly efficient and can be used to screen large compound databases with billions or more compounds to accelerate the drug discovery process for the treatment of COVID-19.
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Artificial Intelligence-Aided Precision Medicine for COVID-19: Strategic Areas of Research and Development.
Enrico Santus,Nicola Marino,Davide Cirillo,Emmanuele Chersoni,Arnau Montagud,Antonella Santuccione Chadha,Alfonso Valencia,Kevin S. Hughes,Charlotta Lindvall +8 more
TL;DR: In this article, an overview of the recently published literature on the COVID-19 pandemic in four strategic areas: triage, diagnosis, and risk prediction; drug repurposing and development; pharmacogenomics and vaccines; and mining of the medical literature.
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