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.
Get this workflow from the following link: Download
01_R-Group_Decomposition_embed_images consists of the following 57 nodes(s):
01_R-Group_Decomposition_embed_images contains nodes provided by the following 9 plugin(s):
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