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 |