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Assessment of Molecular Similarity from the Analysis of Randomly Generated Structural Fragment Populations.

José BatistaJeffrey W. GoddenJürgen Bajorath
Published in: J. Chem. Inf. Model. (2006)
Keyphrases
  • randomly generated
  • np complete
  • simulated annealing
  • distance measure
  • similarity measure
  • special case
  • state space
  • structural information
  • message passing
  • boolean functions
  • sat problem
  • structural analysis