Table 2

The worker allocation of CDK-Taverna by function.

Workers by function

Number of workers

Examples

File I/O

15

SDFParser, CML Reader & Writer

SMILES tools

2

SMILES Parser, SMILES Writer

InChI parser

2

InChI Parser, InChI Generator

Database I/O

7

Insert Molecules Into Database, Read Molecules From Database

Molecular descriptors

42

AtomCount & LargestChain

Atom descriptors

27

AtomHybridization & BondsToAtom

Bond descriptors

6

PartialPiCharge

Clustering

13

K-Means, ART 2-A Classification

Miscellaneous

50

Substructure Search, Reaction Enumeration

Kuhn et al. BMC Bioinformatics 2010 11:159   doi:10.1186/1471-2105-11-159