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Δ2 machine learning for reaction property prediction.
Zhao, Qiyuan; Anstine, Dylan M; Isayev, Olexandr; Savoie, Brett M.
Affiliation
  • Zhao Q; Davidson School of Chemical Engineering, Purdue University West Lafayette IN 47906 USA bsavoie@purdue.edu.
  • Anstine DM; Department of Chemistry, Carnegie Mellon University Pittsburgh PA 15213 USA olexandr@olexandrisayev.com.
  • Isayev O; Department of Chemistry, Carnegie Mellon University Pittsburgh PA 15213 USA olexandr@olexandrisayev.com.
  • Savoie BM; Davidson School of Chemical Engineering, Purdue University West Lafayette IN 47906 USA bsavoie@purdue.edu.
Chem Sci ; 14(46): 13392-13401, 2023 Nov 29.
Article in En | MEDLINE | ID: mdl-38033903
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Chem Sci Year: 2023 Document type: Article Country of publication: Reino Unido
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Chem Sci Year: 2023 Document type: Article Country of publication: Reino Unido