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Transformer-based deep neural networks have revolutionized the field of molecular-related prediction tasks by treating molecules as symbolic sequences.
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Kearnes, S. M.; Maser, M. R.; Wleklinski, M.; Kast, A.; Doyle, A. G.; Dreher, S. D.; Hawkins, J. M.; Jensen, K. F.; Coley, C. W. The Open Reaction Database. Journal of the American Chemical Society 2021
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Bagal, V.; Aggarwal, R.; Vinod, P.; Priyakumar, U. D. MolGPT: molecular generation using a transformer-decoder model. Journal of Chemical Information and Modeling 2021
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