CDK-Taverna Worker Allocation

The CDK-Taverna plug-in provides approximately 160 different worker.

These worker are allocated into:

  • File IO (15)
  • Database IO (7)
  • QSAR descriptors (76, distributed into 42 molecular / 6 bond / 1 atom pair / 27 atomic)
  • ART2A classificator and result analysis worker (10)
  • SimpleKMean and EM clusterer (uses Weka) (3)
  • SMILE tools (2)
  • Inchi Parser (2)
  • Miscellaneous (ca. 50) like substructure filter, aromaticity detection, atom typing and reaction enumeration.
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