R-Group Decomposer

This node performs R-Group decomposition of a given collection of structures, using a scaffold that is common for these structures.

Supported types:

• Molecule: String, SDF, Smiles, CML, Mol, InChI

The node is based on the Indigo cheminformatics toolkit.

Input ports

1. Type: Table
   Input data
   Table containing molecule structures.
2. Type: Table
   Scaffold
   Table containing the scaffold (query molecule).

Output ports

1. Type: Table
   R-Groups
   Same as input, with R-Group columns.
2. Type: Table
   Scaffold
   Same as input scaffold, but with marked R-sites.