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@ARTICLE{Rittig:1021912,
      author       = {Rittig, Jan G. and Felton, Kobi C. and Lapkin, Alexei A.
                      and Mitsos, Alexander},
      title        = {{G}ibbs–{D}uhem-informed neural networks for binary
                      activity coefficient prediction},
      journal      = {Digital discovery},
      volume       = {2},
      number       = {6},
      issn         = {2635-098X},
      address      = {Washington DC},
      publisher    = {Royal Society of Chemistry},
      reportid     = {FZJ-2024-01060},
      pages        = {1752 - 1767},
      year         = {2023},
      note         = {DFG(466417970 within SPP 2331), RWTH(rwth1232 computing
                      resources), BASF (United States)},
      cin          = {IEK-10},
      ddc          = {004},
      cid          = {I:(DE-Juel1)IEK-10-20170217},
      pnm          = {899 - ohne Topic (POF4-899) / DFG project 466417970 -
                      Graph-Basiertes Generatives Maschinelles Learnen für
                      optimale Moleküle (466417970)},
      pid          = {G:(DE-HGF)POF4-899 / G:(GEPRIS)466417970},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:001112646600001},
      doi          = {10.1039/D3DD00103B},
      url          = {https://juser.fz-juelich.de/record/1021912},
}