fsjorgensen — NodePit

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KNIME 5.9
KNIME 5 5.9 5.8LTS 5.7 5.6 5.5LTS 5.4 5.3 5.2 5.1 5.0
KNIME 4 4.7 4.6 4.5 4.4 4.3 4.2 4.1 4.0
KNIME 3 3.7 3.6
In Development 5.10Nightly

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fsjorgensen

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PubChem Compounds

This node gets compound structures from PubChem based on the given CIDs.

PubChem Search

Search data by structure, substructure and similarity to PubChem.

SMARTCyp 2.4.2

Runs SMARTCyp against an input table. This is version 2 of the node.

Structure Filter

Filter a list of target molecules against user-defined SMILES/SMARTS expressions.

SMARTS Query

Filters molecules based on a SMARTS search

Generate Smarts

Generate a SMARTS pattern for each input molecule

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