Enhancing reaction-based de novo design using a multi-label reaction class recommender - researchr publication authors

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Gian Marco Ghiandoni, Michael J. Bodkin, Beining Chen, Dimitar Hristozov, James E. A. Wallace, James Webster, Valerie J. Gillet. Enhancing reaction-based de novo design using a multi-label reaction class recommender. Journal of Computer-Aided Molecular Design, 34(7):783-803, 2020. [doi]

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