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There is an intuitive analogy of an organic chemist's understanding of a compound and a language speaker's understanding of a word.
Computer-Assisted Design of Complex Organic Syntheses
Corey, E. J. & Wipke, W. T · 1969
Earlier work this paper cites.
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Salatin, T. D. et al · 1978
Earlier work this paper cites.
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Weininger, D · 1988
Earlier work this paper cites.
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Williams, R. J. & Zipser, D · 1989
Earlier work this paper cites.
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Satoh, H. & Funatsu, K · 1995
Earlier work this paper cites.
Further development of a reaction generator in the sophia system for organic reaction prediction. knowledge-guided addition of suitable atoms and/or atomic groups to product skeleton
Satoh, H. & Funatsu, K · 1996
Earlier work this paper cites.
Electronic Control of Stereoselectivities of Electrocyclic Reactions of Cyclobutenes: A Triumph of Theory in the Prediction of Organic Reactions
Dolbier, W. R. J., Henryk, K., Houk, K. & Chimin, S · 1996
Earlier work this paper cites.
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Hochreiter, S. & Schmidhuber, J · 1997
Earlier work this paper cites.
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Earlier work this paper cites.
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Graves, A. & Schmidhuber, J · 2005
Earlier work this paper cites.
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Lowe, D. M · 2012
Earlier work this paper cites.
ReactionPredictor: Prediction of Complex Chemical Reactions at the Mechanistic Level Using Machine Learning
Kayala, M. A. & Baldi, P · 2012
Earlier work this paper cites.
Stereoretentive chlorination of cyclic alcohols catalyzed by titanium(IV) tetrachloride: evidence for a front side attack mechanism
Mondal, D. et al · 2013
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Organic Chemistry as a Language and the Implications of Chemical Linguistics for Structural and Retrosynthetic Analyses
Cadeddu, A., Wylie, E. K., Jurczak, J., Wampler-Doty, M. & Grzybowski, B. A · 2014
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Bahdanau, D., Cho, K. & Bengio, Y · 2015
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Luong, M.-T., Pham, H. & Manning, C. D · 2015
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Modelling Chemical Reasoning to Predict and Invent Reactions
Segler, M. H. S. & Waller, M. P · 2017
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