This Node Is Deprecated — This version of the node has been replaced with a new and improved version. The old version is kept for backwards-compatibility, but for all new workflows we suggest to use the version linked below.
Go to Suggested ReplacementRDKit Fingerprint WriterThis node writes an FPS file using fingerprints from DenseBitVector cells of an input table. If the file exists already it will not be overridden by default. The format of the FPS file is mentioned here: https://jcheminf.springeropen.com/articles/10.1186/1758-2946-5-S1-P36
Options
Popular Predecessors
RDKit Fingerprint Reader12 %- RDKit Count-Based Fingerprint8 %
- Column Filter7 %
- Fingerprints6 %
- RDKit Descriptor Calculation6 %
- RDKit Fingerprint6 %
Column Rename6 %- RDKit From Molecule5 %
- RDKit Interactive Table4 %
- Molecule Type Cast3 %
File Reader2 %- RDKit Canon SMILES2 %
- Fingerprint From Hexadecimal String2 %
Fingerprint Properties2 %- Column Combiner2 %
- Fingerprint Similarity Calculator1 %
- Concatenate1 %
Row Filter (deprecated)1 %- SDF Reader1 %
- Dense To Sparse1 %
- Fingerprint From String1 %
- Fingerprints Expander1 %
Table Column to Variable1 %Table Row to Variable1 %CSV Reader1 %- Create Bit Vector1 %
- Column Resorter1 %
- Duplicate Row Filter1 %
Joiner1 %- Column Filter (PMML)1 %
- Column Splitter1 %
Excel Reader (XLS)1 %- RDKit Add Conformers1 %
- RDKit Diversity Picker1 %
- RDKit Molecule Extractor1 %
- RDKit SMILES Headers1 %
- Sorter1 %
- Column Filter (legacy)1 %
- Fingerprint Similarity1 %
- RDKit Add Hs1 %
- RDKit To Molecule1 %
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