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QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES.

Andrey A. ToropovKarel Nesmerak Jr.Ivan Raska Jr.Karel WaisserKarel Palat
Published in: Comput. Biol. Chem. (2006)
Keyphrases
  • optimal strategy
  • dynamic programming
  • feature vectors
  • worst case
  • optimal control
  • feature descriptors
  • optimal design