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Identification of Optimal Ligand Growth Vectors Using an Alchemical Free-Energy Method.

Alexander D. WadeDavid J. Huggins
Published in: J. Chem. Inf. Model. (2020)
Keyphrases
  • dynamic programming
  • similarity measure
  • segmentation method
  • pairwise
  • closed form
  • feature space
  • prior knowledge
  • probabilistic model
  • higher order
  • input data
  • belief propagation