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Medication recommendation is an essential task of AI for healthcare.
PID controllers: theory, design, and tuning
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Andrea Mauri, Viviana Consonni, Manuela Pavan, and Roberto Todeschini · 2006
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On the art of compiling and using’drug-like’chemical fragment spaces
Jörg Degen, Christof Wegscheid-Gerlach, Andrea Zaliani, and Matthias Rarey · 2008
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Classifier chains for multi-label classification
Jesse Read, Bernhard Pfahringer, Geoff Holmes, and Eibe Frank · 2009
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Extended-connectivity fingerprints
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Data-driven prediction of drug effects and interactions
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Adam: A method for stochastic optimization
Diederik P Kingma and Jimmy Ba · 2014
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Convolutional networks on graphs for learning molecular fingerprints
David K Duvenaud, Dougal Maclaurin, Jorge Iparraguirre, Rafael Bombarell, Timothy Hirzel, Alán Aspuru-Guzik, and Ryan P Adams · 2015
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Edward Choi, Mohammad Taha Bahadori, Andy Schuetz, Walter F Stewart, and Jimeng Sun · 2016
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Alistair EW Johnson, Tom J Pollard, Lu Shen, H Lehman Li-Wei, Peter Szolovits, Leo Anthony Celi, and Roger G Mark · 2016
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Convolutional embedding of attributed molecular graphs for physical property prediction
Connor W Coley, Regina Barzilay, William H Green, Tommi S Jaakkola, and Klavs F Jensen · 2017
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Attention is all you need
Ashish Vaswani, Noam Shazeer, Niki Parmar, Jakob Uszkoreit, Llion Jones, Aidan N Gomez, Łukasz Kaiser, and Illia Polosukhin · 2017
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Safe medicine recommendation via medical knowledge graph embedding
Meng Wang, Mengyue Liu, Jun Liu, Sen Wang, Guodong Long, and Buyue Qian · 2017
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Pre-training of graph augmented transformers for medication recommendation
Junyuan Shang, Tengfei Ma, Cao Xiao, and Jimeng Sun · 2018
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Opportunities and challenges in developing deep learning models using electronic health records data: a systematic review
Cao Xiao, Edward Choi, and Jimeng Sun · 2018
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You only train once: Loss-conditional training of deep networks
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Medgcn: Graph convolutional networks for multiple medical tasks
Chengsheng Mao, Liang Yao, and Yuan Luo · 2019
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Gamenet: Graph augmented memory networks for recommending medication combination
Junyuan Shang, Cao Xiao, Tengfei Ma, Hongyan Li, and Jimeng Sun · 2019
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On the connection between chemical constitution and physiological action
Alexander Crum Brown and Thomas R Fraser
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Qiang Wang, Bei Li, Tong Xiao, Jingbo Zhu, Changliang Li, Derek F Wong, and Lidia S Chao · 2019
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Analyzing learned molecular representations for property prediction
Kevin Yang, Kyle Swanson, Wengong Jin, Connor Coley, Philipp Eiden, Hua Gao, Angel Guzman-Perez, Timothy Hopper, Brian Kelley, Miriam Mathea, et al · 2019
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Caster: Predicting drug interactions with chemical substructure representation
Kexin Huang, Cao Xiao, Trong Hoang, Lucas Glass, and Jimeng Sun · 2020
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