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      • Jörg Kurt Wegner

      3 results in Jörg Kurt Wegner in Authors: Jörg Kurt Wegner

      Category: Analytical Chemistry
      ,
      Working Paper
      , Title:

      On Failure Modes of Molecule Generators and Optimizers

      , Authors: Philipp Renz, Dries Van Rompaey, Jörg Kurt Wegner, Sepp Hochreiter, Günter Klambauer
      1,158
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      1
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      Category: Theoretical and Computational Chemistry
      ,
      Working Paper
      , Title:

      A Geometric Deep Learning Approach to Predict Binding Conformations of Bioactive Molecules

      , Authors: Oscar Méndez-Lucio, Mazen Ahmad, Ehecatl Antonio del Rio-Chanona, Jörg Kurt Wegner
      3,272
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      Category: Theoretical and Computational Chemistry
      ,
      Working Paper
      , Title:

      Atom-to-Atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus Strategies

      , Authors: Timur Madzhidov, Arkadii I. Lin, Ramil Nugmanov, Natalia Dyubankova, Timur Gimadiev, Jörg Kurt Wegner, Assima Rakhimbekova, Tagir Akhmetshin, Zarina Ibragimova, Alexandre Varnek, Rail Suleymanov, Hugo Ceulemans, Jonas Verhoeven
      572
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      2
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