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Fingerprints
RDKit
Visualization Community Nodes
  1. Workflow
    Displaying information about fingerprint bits.
    RDKit Fingerprints Visualization
    This workflow demonstrates how to use RDKit functionality to highlight the atoms and bonds involved in a particular fingerprint b…
    greglandrum > Public > RDKit-Examples > Highlighting Fingerprint Bits
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  2. Node / Source
    Fingerprint Reader (deprecated)
    Community Nodes RDKit Fingerprints
    This node can be used to read a FPS file and convert the fingerprint records into knime fingerprints. The format of the .fps file…
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  3. Node / Sink
    Fingerprint Writer (deprecated)
    Community Nodes RDKit Fingerprints
    This node can be used to write a FPS file using knime fingerprints from an input table. The format of the FPS file is mentioned h…
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  4. Node / Manipulator
    RDKit Count-Based Fingerprint
    Community Nodes RDKit Fingerprints
    +1
    Generates hashed count-based fingerprints for an input RDKit Mol column and appends them to the table. Several fingerprint types …
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  5. Node / Manipulator
    RDKit Diversity Picker
    Community Nodes RDKit Fingerprints
    Picks diverse rows from an input table based on tanimoto distance between fingerprints. The picking is done using the MaxMin algo…
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  6. Node / Manipulator
    RDKit Fingerprint
    Community Nodes RDKit Fingerprints
    +1
    Generates hashed bit-based fingerprints for an input RDKit Mol column and appends them to the table. Several fingerprint types ar…
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  7. Node / Source
    RDKit Fingerprint Reader
    Community Nodes RDKit Fingerprints
    This node reads an FPS file with its fingerprint records into a KNIME table. The format of the .fps file is mentioned here: https…
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  8. Node / Sink
    RDKit Fingerprint Writer
    Community Nodes RDKit Fingerprints
    This node writes an FPS file using fingerprints from DenseBitVector cells of an input table. If the file exists already it will n…
    0