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PMI_​kbisikalo

Forum post: https://forum.knime.com/t/having-some-truly-weird-issues-with-the-calculation-of-pmi-derived-properties/34100 Remove 3 problematicmolecules SDF Reader PMI TriangleScatter Plot Image Writer (Port) Color Manager RDKit DescriptorCalculation RDKit OptimizeGeometry RDKit Add Hs Principal Moment of Intertia(PMI)-Derived Properties RDKit Salt Stripper RDKit Canon SMILES Molecule Type Cast Rule-basedRow Splitter Forum post: https://forum.knime.com/t/having-some-truly-weird-issues-with-the-calculation-of-pmi-derived-properties/34100 Remove 3 problematicmoleculesSDF Reader PMI TriangleScatter Plot Image Writer (Port) Color Manager RDKit DescriptorCalculation RDKit OptimizeGeometry RDKit Add Hs Principal Moment of Intertia(PMI)-Derived Properties RDKit Salt Stripper RDKit Canon SMILES Molecule Type Cast Rule-basedRow Splitter

Nodes

Extensions

Links

Download

To use this workflow in KNIME, download it from the below URL and open it in KNIME:

Download Workflow
Created by: k.bysykal
Created at: 2021-06-23
On NodePit since: 2021-06-24
Last update: 2024-04-25
Created with KNIME version: v4.3.3

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