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Transferability of fragmental contributions to the octanol/water partition coefficient: An NDDO-based MST study.

Carles CurutchetAlbert SalichsXavier BarrilModesto OrozcoFrancisco Javier Luque
Published in: J. Comput. Chem. (2003)
Keyphrases
  • reinforcement learning
  • data structure
  • simulation study
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