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KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination.

Dominique SydowPaula SchmielJérémie MortierAndrea Volkamer
Published in: J. Chem. Inf. Model. (2020)
Keyphrases
  • search space
  • space time
  • neural network
  • low dimensional
  • database
  • real time
  • databases
  • genetic algorithm
  • artificial intelligence
  • data model
  • building blocks
  • biological data