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20211020 Pikairos Number of atoms within a biggest ring

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SmilesAtoms withinthe Longest ringsand RDKitconverted Structureto match Atom Positionswith the right StructureAtom NumberingConvert String intocollection ofLongest RingsOne IndependentLongest Ringper Row Number of Atomsin Longest RingsHighlightRings in MoleculeRemove"{" charactersConvert String intocollection ofAtom PositionsOne Longest Ringper Row Convert Atom Positionsfrom String to Integer valuesGroupby backthe rows byRing and SmilesExtract RowIDfor later useFinal Longest RingsKeep onlyMeaningfulColumnsKeep only Rings incluidingat least 9 atomsTable Creator Python Script Cell Splitter Ungroup String Manipulation RDKit MoleculeHighlighting String Manipulation Cell Splitter Ungroup String Manipulation GroupBy RowID InteractiveTable (local) Column Filter Row Splitter SmilesAtoms withinthe Longest ringsand RDKitconverted Structureto match Atom Positionswith the right StructureAtom NumberingConvert String intocollection ofLongest RingsOne IndependentLongest Ringper Row Number of Atomsin Longest RingsHighlightRings in MoleculeRemove"{" charactersConvert String intocollection ofAtom PositionsOne Longest Ringper Row Convert Atom Positionsfrom String to Integer valuesGroupby backthe rows byRing and SmilesExtract RowIDfor later useFinal Longest RingsKeep onlyMeaningfulColumnsKeep only Rings incluidingat least 9 atomsTable Creator Python Script Cell Splitter Ungroup String Manipulation RDKit MoleculeHighlighting String Manipulation Cell Splitter Ungroup String Manipulation GroupBy RowID InteractiveTable (local) Column Filter Row Splitter

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Created by: Molina
Created at: 2021-10-20
On NodePit since: 2022-02-06
Last update: 2024-04-27
Created with KNIME version: v4.4.1

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