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PMI_​v3000

clear existingcoordinatesremoveprevious 3d structuresv3000 sdfPrincipal Moment of Intertia(PMI)-Derived Properties RDKit OptimizeGeometry RDKit Add Hs Canonical SMILES Molecule Type Cast RDKit Add Hs RDKit OptimizeGeometry Column Filter Principal Moment of Intertia(PMI)-Derived Properties SDF Reader clear existingcoordinatesremoveprevious 3d structuresv3000 sdfPrincipal Moment of Intertia(PMI)-Derived Properties RDKit OptimizeGeometry RDKit Add Hs Canonical SMILES Molecule Type Cast RDKit Add Hs RDKit OptimizeGeometry Column Filter Principal Moment of Intertia(PMI)-Derived Properties SDF Reader

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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: 2021-06-25
Last update: 2024-04-26
Created with KNIME version: v4.3.3

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