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

Ghiandoni, G.M., Bodkin, M.J., Chen, B. et al. (4 more authors) (2020) Enhancing reaction-based de novo design using a multi-label reaction class recommender. Journal of Computer-Aided Molecular Design, 34 (7). pp. 783-803. ISSN 0920-654X



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Keywords: de novo design; reaction class recommender; multi-label classification; reaction vector
  • Accepted: 13 February 2020
  • Published (online): 28 February 2020
  • Published: July 2020
Institution: The University of Sheffield
Academic Units: The University of Sheffield > Faculty of Social Sciences (Sheffield) > Information School (Sheffield)
Depositing User: Symplectic Sheffield
Date Deposited: 19 Feb 2020 15:45
Last Modified: 10 Dec 2021 16:18
Status: Published
Publisher: Springer
Refereed: Yes
Identification Number: https://doi.org/10.1007/s10822-020-00300-6