tablewithSvgAndPngImage[solved]
01_R-Group_Decomposition
This workflow demonstrates how to perform R-Group Decomposition using the RDKit community extension.
The workflow has several steps
I. Compute MCS.
II. Perform R-Group Decomposition.
III. Find how many molecules with each combination of the two selected R-groups are in the dataset.
IV. Visualize the results of the R-group decomposition.
Nodes
- Renderer to Image12 ×
- Generic JavaScript View3 ×
- Column Selection Widget2 ×
- Java Snippet (simple)2 ×
- RDKit Canon SMILES2 ×
- Show all 23 nodes
Extensions
- FeatureKNIME Base nodes
- FeatureKNIME JavaScript Views
- FeatureKNIME JavaScript Views (Labs)
- FeatureKNIME Javasnippet
- FeatureKNIME Quick Forms
- Show all 7 modules