RDKit R-Group Decomposition

Performs an R-Group decomposition for an input RDKit Mol column. The algorithm in RDKit was developed in 2018/2019. It is still in beta state and should be used with care. Results may vary in later versions.

Input ports

1. Type: Table
   Molecules
   Molecules as RDKit Molecule, SMILES or SDF column
2. Type: Table
   Scaffolds
   Cores as RDKit Molecule, SMARTS, SMILES or SDF column

Output ports

1. Type: Table
   Matches with R-Groups
   Table with matching core and decomposed R-Groups
2. Type: Table
   Unmatched molecules
   Table with unmatched input rows