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Table 2 Overview on multi-threading CDK-Taverna 2

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

Function

Worker

Calculation of molecular descriptors

QSAR Descriptor Threaded

Significance of input components evaluation using a genetic algorithm

GA Attribute Selection

Significance of input components evaluation using a 'Leave-One-Out' strategy

Leave-One-Out Attribute Selection

Partitioning datasets into training and test sets

Split Dataset Into Train-/Testset

Construction of clustering models

Weka Clustering

Construction of regression models

Weka Regression

Construction of classification models

Weka Classification

  1. Overview on CDK-Taverna 2.0 workers which are capable of using multiple threads for their calculations.