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Molecule Set Comparator (MSC): a CDK-based open rich-client tool for molecule set similarity evaluations.

Kohulan RajanJan-Mathis HeinChristoph SteinbeckAchim Zielesny
Published in: J. Cheminformatics (2021)
Keyphrases
  • databases
  • machine learning
  • lower bound
  • initial set
  • data mining
  • case study
  • multiscale
  • expert systems
  • user interface
  • hidden markov models
  • input data