ChemblAnnotationDashboard
This workflow reads Compound Identifiers used by the Chembl Database (ChemblID) and queries the Database on physicochemical, biological, pharmaceutical and clinical trial results.
The user can alter constrains for pChembl, (negative logarithm of either AC50, EC50, IC50, Ki, MIC, GI50, TGI, Km, Kd, CC50 or LC50), the Assay Type (binding and/or functional) and Confidence score range ( measure for target assingment confidence).
The dashboard displays various visualizations for the potency of the compounds against its biological targets, time series for depositions in Chembl Database, pharmacological and clinical trail information, e.g. maximum clinical phase reached and indications.
This workflow is part of the data harmonisation pipeline developed in the Remedi4all project. The REMEDi4ALL project has received funding from the European Union’s Horizon Europe Research & Innovation programme under grant agreement No 101057442.
Nodes
Extensions
- FeatureKNIME Base Chemistry Types & Nodes
- FeatureKNIME Base nodes
- FeatureKNIME JavaScript Views (Labs)
- FeatureKNIME Javasnippet
- FeatureKNIME Math Expression (JEP)
- FeatureKNIME Quick Forms
- FeatureKNIME REST Client Extension
- FeatureKNIME SVG Support
- FeatureKNIME Views
- FeatureKNIME XML-Processing
- FeatureSchrödinger Extensions for KNIME
Links
- No links available