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Predicting the tautomeric equilibrium of acetylacetone in solution. I. The right answer for the wrong reason?

Sebastian SchlundEline M. Basílio JankeKlaus WeiszBernd Engels
Published in: J. Comput. Chem. (2010)
Keyphrases
  • linear equations
  • neural network
  • simulated annealing
  • game theory
  • optimization method
  • data sets
  • learning algorithm
  • search engine
  • cooperative
  • mathematical model
  • solution quality
  • variational inequalities