Calculates an Extended Connectivity Fingerprint for each input molecule and only keeps the first representative for each set of molecules with the same fingerprint.
Popular Successors
- Duplicate Row Filter10 %
- RDKit To Molecule5 %
- Excel Writer5 %
- Library Filter4 %
- Column Splitter4 %
Excel Writer (XLS)4 %- Duplicate Remover4 %
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Excel Sheet Appender (XLS)4 %- ICon3 %
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- Column Resorter3 %
- Concatenate3 %
- GroupBy3 %
- Constant Value Column3 %
- RDKit Fingerprint3 %
Column Rename2 %- Molecule Type Cast2 %
- SMILES Writer2 %
- 3D Viewer2 %
- Similarity Matrix (from Molecules)2 %
- SDF Stripper2 %
- SDF Writer2 %
- Molecule Properties< 1 %
- Fingerprint Calculator< 1 %
- LDB Writer< 1 %
- Column Filter< 1 %
- Reference Row Filter< 1 %
Excel Writer (XLS)< 1 %- Duplicate Filter< 1 %
- Pharmacophore/Molecule Alignment< 1 %
- PML/PMZ Pharmacophore Writer< 1 %
- Standard Properties< 1 %
- Tautomer Generator< 1 %
- Glide Merge< 1 %
Loop End< 1 %- Row Filter< 1 %
- String Manipulation< 1 %
- Rule-based Row Filter< 1 %
- Statistics< 1 %
- RDKit Molecule Catalog Filter< 1 %
- RDKit Find Murcko Scaffolds< 1 %
- RDKit Substructure Filter< 1 %
- Molecule Validator< 1 %
- Partitioning< 1 %
- Rule Engine< 1 %
- RDKit From Molecule< 1 %
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