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Naloxone, an opioid antagonist, has been widely used to save lives from opioid overdose, a leading cause for death in the opioid epidemic.
Simple statistical gradient-following algorithms for connectionist reinforcement learning
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Long short-term memory
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Naloxone in opioid poisoning: walking the tightrope
Simon FJ Clarke, Paul I Dargan, and Alison L Jones · 2005
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RDKit: Open-source cheminformatics
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Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions
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Principles of early drug discovery
James P Hughes, Stephen Rees, S Barrett Kalindjian, and Karen L Philpott · 2011
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Scikit-learn: Machine learning in python
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A response to the opioid overdose epidemic: naloxone nasal spray
Daniel P Wermeling · 2013
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Pathways for small molecule delivery to the central nervous system across the blood-brain barrier
John L Mikitsh and Ann-Marie Chacko · 2014
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On the properties of neural machine translation: Encoder-decoder approaches
Kyunghyun Cho, Bart Van Merriënboer, Dzmitry Bahdanau, and Yoshua Bengio · 2014
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Deep learning
Yann LeCun, Yoshua Bengio, and Geoffrey Hinton · 2015
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Inferring algorithmic patterns with stack-augmented recurrent nets
Armand Joulin and Tomas Mikolov · 2015
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Batch normalization: Accelerating deep network training by reducing internal covariate shift
Sergey Ioffe and Christian Szegedy · 2015
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The rising price of naloxone—risks to efforts to stem overdose deaths
Ravi Gupta, Nilay D Shah, and Joseph S Ross · 2016
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Proximal policy optimization algorithms
John Schulman, Filip Wolski, Prafulla Dhariwal, Alec Radford, and Oleg Klimov · 2017
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The ChEMBL database in 2017
Opioid Overdose
Elizabeth Y Schiller and Oren J Mechanic · 2019
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Pharmacokinetic interaction between naloxone and naltrexone following intranasal administration to healthy subjects
Philip Krieter, C Nora Chiang, Shwe Gyaw, Phil Skolnick, and Rebekah Snyder · 2019
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Advancing drug discovery via artificial intelligence
HC Stephen Chan, Hanbin Shan, Thamani Dahoun, Horst Vogel, and Shuguang Yuan · 2019
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Deep learning for molecular design-a review of the state of the art
Daniel C Elton, Zois Boukouvalas, Mark D Fuge, and Peter W Chung · 2019
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Aqsoldb, a curated reference set of aqueous solubility and 2d descriptors for a diverse set of compounds
Murat Cihan Sorkun, Abhishek Khetan, and Süleyman Er · 2019
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Pytorch: An imperative style, high-performance deep learning library
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Anna Gaulton, Anne Hersey, Michał Nowotka, A Patrícia Bento, Jon Chambers, David Mendez, Prudence Mutowo, Francis Atkinson, Louisa J Bellis, Elena Cibrián-Uhalte, et al · 2017
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The opioid epidemic: Crisis and solutions
Phil Skolnick · 2018
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Drugbank 5.0: a major update to the DrugBank database for 2018
David S Wishart, Yannick D Feunang, An C Guo, Elvis J Lo, Ana Marcu, Jason R Grant, Tanvir Sajed, Daniel Johnson, Carin Li, Zinat Sayeeda, et al · 2018
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Naloxone dosage for opioid reversal: current evidence and clinical implications
Rachael Rzasa Lynn and JL Galinkin · 2018
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The rise of deep learning in drug discovery
Hongming Chen, Ola Engkvist, Yinhai Wang, Marcus Olivecrona, and Thomas Blaschke · 2018
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Reinforcement learning: An introduction
Richard S Sutton and Andrew G Barto · 2018
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Deep reinforcement learning for de novo drug design
Mariya Popova, Olexandr Isayev, and Alexander Tropsha · 2018
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Adam Paszke, Sam Gross, Francisco Massa, Adam Lerer, James Bradbury, Gregory Chanan, Trevor Killeen, Zeming Lin, Natalia Gimelshein, Luca Antiga, et al · 2019
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Advances and perspectives in applying deep learning for drug design and discovery
Celio Lipinski, Vinicius Maltarollo, Patricia Oliveira, Alberico da Silva, and Kathia Honorio · 2019
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Exploiting machine learning for end-to-end drug discovery and development
Sean Ekins, Ana C Puhl, Kimberley M Zorn, Thomas R Lane, Daniel P Russo, Jennifer J Klein, Anthony J Hickey, and Alex M Clark · 2019
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Deep learning enables rapid identification of potent ddr1 kinase inhibitors
Alex Zhavoronkov, Yan A Ivanenkov, Alex Aliper, Mark S Veselov, Vladimir A Aladinskiy, Anastasiya V Aladinskaya, Victor A Terentiev, Daniil A Polykovskiy, Maksim D Kuznetsov, Arip Asadulaev, et al · 2019
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ADMET modeling approaches in drug discovery
Leonardo LG Ferreira and Adriano D Andricopulo · 2019
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Drug Overdose Deaths in the United States, 1999-2018
Holly Hedegaard, Arialdi M Miniño, Margaret Warner, et al · 2020
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