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Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions.

Andrius MerkysAntanas VaitkusAlgirdas GrybauskasAleksandras KonovalovasMiguel QuirósSaulius Grazulis
Published in: J. Cheminformatics (2023)
Keyphrases
  • graph isomorphism
  • dynamic programming
  • matching algorithm
  • tree structure
  • objective function
  • search space
  • optimal solution
  • np hard
  • binary images
  • similarity measure
  • relational databases
  • np complete
  • graph search