EnrichmentCurves_examples
This workflow demonstrates an example to calculate ROC and Enrichment factors.
The dataset represents a subset of 844 compounds evaluated for activity against CDPK1. 181 compounds inhibited CDPK1 with IC50 below 1uM and have "active" as their class.
More information is available https://chembl.gitbook.io/chembl-ntd/#deposited-set-19-5th-march-2016-uw-kinase-screening-hits. See Set 19.
Nodes
- Enrichment Plotter1 ×
- Partitioning1 ×
- ROC Curve (JavaScript)1 ×
- Random Forest Learner1 ×
- Random Forest Predictor1 ×
- Scorer (JavaScript)1 ×
- Sorter1 ×
- Table Reader1 ×
- Virtual Screening Metrics1 ×
Extensions
- FeatureErlwood Knime Open Source Cheminformatics
- FeatureKNIME Base nodes
- FeatureKNIME Ensemble Learning Wrappers
- FeatureKNIME JavaScript Views
- FeatureKNIME JavaScript Views (Labs)