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Table 1 CDK-Taverna 2.0 workers

From: New developments on the cheminformatics open workflow environment CDK-Taverna

Function

# workers

Examples

File I/O

18

SDFReader, SmilesReader

Iterative File I/O

8

IterativeSDFileReader, LoopSDFileReaderActivity

String Converter

10

CMLStringToStructureConverter

Molecular descriptor calculation

99

AtomCount, LargestChain, WienerIndex

Machine learning

30

kMeans, Perceptron, SVM

Miscellaneous

27

JChemPaint, ReactionEnumerator

  1. Overview on CDK-Taverna 2.0 workers categorized by their function.