- Type: TableMoleculesTable with string columns for molecule identifier and a BitVector fingerprint column, for the test set
- Type: TableMoleculesToCompareToTable with string columns for molecule identifier and a BitVector fingerprint column, for the reference set
Node / Manipulator
Fast Tanimoto2
Node details
Input ports
Output ports
- Type: TableMolecules with similaritiesInput table with attached tanimoto.id (a copy of the string identifiers of the molecule compared), tanimoto.similars (list of identifiers of molecules with a tanimoto similarity higher than the threshold), tanimoto.coefficients (the corresponding tanimito similarities of those molecules), tanimoto.num.similars (the number of similar molecules found)
Extension
The Fast Tanimoto2 node is part of this extension:
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Related workflows & nodes
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