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      • Werngard Czechtizky

      3 results in Werngard Czechtizky in Authors: Werngard Czechtizky

      Category: Theoretical and Computational Chemistry
      ,
      Working Paper
      , Title:

      Molecular Optimization by Capturing Chemist’s Intuition Using Deep Neural Networks

      , Authors: Jiazhen He, huifang you, Emil Sandström, eva nittinger, Esben Jannik Bjerrum, Christian Tyrchan, Werngard Czechtizky, Ola Engkvist
      1,608
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      Category: Theoretical and Computational Chemistry
      ,
      Working Paper
      , Title:

      Transformer Neural Network-Based Molecular Optimization Using General Transformations

      , Authors: Jiazhen He, Eva Nittinger, Christian Tyrchan, Werngard Czechtizky, Atanas Patronov, Esben Jannik Bjerrum, Ola Engkvist
      614
      Downloads
      Category: Theoretical and Computational Chemistry
      ,
      Working Paper
      , Title:

      Transformer Neural Network for Structure Constrained Molecular Optimization

      , Authors: Jiazhen He, Felix Mattsson, Marcus Forsberg, Esben Jannik Bjerrum, Ola Engkvist, eva nittinger, Christian Tyrchan, Werngard Czechtizky
      581
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