IMPRESSION-prediction of NMR parameters for 3-dimensional chemical structures using machine learning with near quantum chemical accuracy

  1. Gerrard, W.
  2. Bratholm, L.A.
  3. Packer, M.J.
  4. Mulholland, A.J.
  5. Glowacki, D.R.
  6. Butts, C.P.
Journal:
Chemical Science

ISSN: 2041-6539 2041-6520

Year of publication: 2020

Volume: 11

Issue: 2

Pages: 508-515

Type: Article

DOI: 10.1039/C9SC03854J GOOGLE SCHOLAR lock_openOpen access editor