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Compares molecule fingerprints and lists identifiers of molecules having scores larger than a preset threshold. The node is optimized for processing of larger sets of molecules (tested with 50'000 molecules, processing time is less than 5 minutes on a Core i5 with 3 Ghz). Prevents comparison of a molecule to itself
Options
Output Ports
- Input 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)
Popular Predecessors
- RDKit Fingerprint22 %
Number To String13 %- Java Snippet9 %
File Reader7 %- Rule-based Row Filter7 %
- Fingerprint Similarity7 %
Loop End4 %- Column Filter4 %
- Fingerprints4 %
- Create Bit Vector2 %
- Partitioning2 %
- RDKit From Molecule2 %
- Fingerprint Similarity2 %
- Cross Joiner2 %
- Sorter2 %
- SDF Reader2 %
- 3D D-Similarity2 %
- Fast Tanimoto22 %
- Number To String2 %
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