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Chemical reactions can be described as the stepwise redistribution of electrons in molecules.
Synthesis of 2,3-dihydrospiro[benzofuran-2,4’-piperidines] and 2,3-dihydrospiro[benzofuran-2,3’-pyrrolidines]
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Heuristics-guided exploration of reaction mechanisms
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Convolutional networks on graphs for learning molecular fingerprints
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Neural networks for the prediction of organic chemistry reactions
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A tabu-search based strategy for modeling molecular aggregates and binary reactions
Surajit Nandi, Suzanne R McAnanama-Brereton, Mark P Waller, and Anakuthil Anoop · 2017
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Context-driven exploration of complex chemical reaction networks
Gregor N Simm and Markus Reiher · 2017
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Neural machine translation (seq2seq) tutorial, 2017
R. Zhao, T. Luong, and E. Brevdo · 2017
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Deep learning for chemical reaction prediction
David Fooshee, Aaron Mood, Eugene Gutman, Mohammadamin Tavakoli, Gregor Urban, Frances Liu, Nancy Huynh, David Van Vranken, and Pierre Baldi · 2018
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Efficient prediction of reaction paths through molecular graph and reaction network analysis
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