mTOR Project
TeachOpenCADD Workflow 1: Data acquisition from ChEMBL
Information on compound structure, bioactivity, and associated targets are organized in databases such as ChEMBL, PubChem, or DrugBank.
This workflow shows how to obtain and preprocess data for a query target (default target: EGFR) from the ChEMBL web services.
Nodes
- Constant Value Column Appender39 ×
- Column Filter27 ×
- Scorer25 ×
- Excel Reader16 ×
- Row Filter16 ×
- Show all 58 nodes
Extensions
- FeatureKNIME Base Chemistry Types & Nodes
- FeatureKNIME Base nodes
- FeatureKNIME Ensemble Learning Wrappers
- FeatureKNIME Excel Support
- FeatureKNIME JavaScript Views
- FeatureKNIME JavaScript Views (Labs)
- FeatureKNIME Javasnippet
- FeatureKNIME JSON-Processing
- FeatureKNIME Math Expression (JEP)
- FeatureKNIME Optimization extension
- FeatureKNIME Quick Forms
- FeatureKNIME REST Client Extension
- FeatureKNIME Views
- FeatureRDKit Nodes Feature
Links
- No links available