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The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.

Egon L. WillighagenJohn W. MayfieldJonathan AlvarssonArvid BergLars CarlssonNina JeliazkovaStefan KuhnTomás PluskalMiquel Rojas-ChertóOla SpjuthGilleain M. TorranceChris T. A. EveloRajarshi GuhaChristoph Steinbeck
Published in: J. Cheminformatics (2017)
Keyphrases
  • development kit
  • van der waals
  • molecular structures
  • commercial software
  • chemical reactions
  • fully functional
  • databases
  • three dimensional
  • partial order
  • case study
  • open source
  • augmented reality