RDKit One Component Reaction

Input Ports

Table with RDKit molecule column.

Table with reaction values; if there are multiple rows only the first row is considered.

Output Ports

Product molecules.

Popular Predecessors

• GroupBy4 %
• Row Filter3 %
• String to Reaction3 %
• String Replacer2 %
• RDKit Canon SMILES2 %
• Show all 126 recommendations

Popular Successors

• Duplicate Row Filter6 %
• Catch Errors (Data Ports)4 %
• RDKit Substructure Counter4 %
• Concatenate (Optional in)3 %
• RDKit Fingerprint3 %
• Cell Replacer3 %
• Cross Joiner2 %
• RDKit Descriptor Calculation2 %
• Loop End (deprecated)2 %
• Column Resorter2 %
• Row Splitter2 %
• RDKit Functional Group Filter2 %
• RDKit Two Component Reaction2 %
• Joiner2 %
• Column Rename2 %
• RDKit Chemical Transformation2 %
• Canonical SMILES1 %
• Generate 2D Coordinates1 %
• R-Group Decomposer1 %
• Molecule Transformation (beta)1 %
• MolConverter1 %
• Loop End1 %
• Recursive Loop End1 %
• Table Row To Variable Loop Start1 %
• Concatenate1 %
• Constant Value Column1 %
• Column Filter1 %
• Row Filter1 %
• Reference Row Filter1 %
• GroupBy1 %
• String Manipulation1 %
• Rule-based Row Filter1 %
• Interactive Table (local)1 %
• Molecule Type Cast1 %
• SDF Writer1 %
• Table to PDF1 %
• Excel Writer1 %
• RDKit Generate Coords1 %
• RDKit Add Hs1 %
• RDKit Canon SMILES1 %
• RDKit From Molecule1 %
• RDKit One Component Reaction1 %
• RDKit To Molecule1 %
• RDKit Substructure Filter1 %
• Chunk Loop Start1 %
• Add Empty Rows1 %
• RDKit Find Murcko Scaffolds1 %
• String to Molecule< 1 %
• RDKit Optimize Geometry< 1 %
• Timed Loop End (2 port)< 1 %
• R Snippet< 1 %
• Table Column to Variable< 1 %
• Column Appender< 1 %
• RowID< 1 %
• Excel Writer (XLS)< 1 %
• Java Snippet Row Splitter< 1 %
• Molecular Properties< 1 %
• RDKit Kekulizer< 1 %
• RDKit Molecule Substructure Filter< 1 %
• RDKit Remove Hs< 1 %
• Combinatorial Reaction Enumeration (beta)< 1 %
• Dearomatizer< 1 %
• InChi< 1 %
• Reaction Splitter< 1 %
• Substructure Matcher< 1 %
• Desmond Molecular Dynamics< 1 %
• LigPrep< 1 %
• Speedy SMILES Clean Bonds< 1 %
• Loop End (3 ports)< 1 %
• R Plot< 1 %
• Advanced MolConverter< 1 %
• MarvinView< 1 %
• String to Reaction< 1 %
• CSV Writer< 1 %
• Table Writer< 1 %
• Recursive Loop End< 1 %
• Reference Row Splitter< 1 %
• Joiner (deprecated)< 1 %
• Row Sampling< 1 %
• Renderer to Image< 1 %
• IF Switch< 1 %
• Counter Generation< 1 %
• Excel Writer (XLS)< 1 %
• RDKit Aromatizer< 1 %
• RDKit Molecule Highlighting< 1 %
• RDKit Interactive Table< 1 %
• RDKit Molecule Extractor< 1 %
• RDKit To InChI< 1 %
• RDKit R-Group Decomposition< 1 %
• RDKit Structure Normalizer< 1 %