Generates hashed count-based fingerprints for an input RDKit Mol column and appends them to the table. Several fingerprint types are available. Not all settings are used for each type. Settings that are not supported by a fingerprint type will be disabled/hidden and will have no effect. The settings a fingerprint gets generated with are made available as column properties and can be visualized with the RDKit Interactive View Node.
Options
Advanced
Popular Successors
- Expand Byte Vector4 %
- XGBoost Tree Ensemble Learner4 %
- RDKit Diversity Picker3 %
RDKit Fingerprint Writer3 %- Fingerprint Bayesian Learner3 %
- Byte Vector Distances3 %
- GroupBy3 %
- RDKit Count-Based Fingerprint3 %
- Fingerprint From Set Bits list2 %
- Fingerprints Expander2 %
- Fingerprint Similarity2 %
CSV Writer2 %Tree Ensemble Predictor2 %- Column Filter2 %
Joiner2 %- SDF Writer2 %
- Distance Matrix Calculate2 %
- RDKit Fingerprint2 %
Fingerprint Properties2 %- Expand Bit Vector2 %
- Number to String2 %
- Partitioning2 %
Row Filter (deprecated)1 %- Reference Row Filter1 %
- Strings to Document1 %
- Fingerprint Similarity1 %
- Fingerprint Similarity< 1 %
- Fingerprint to String< 1 %
- Chemical Fingerprint< 1 %
- Split Collection Column< 1 %
- Binary Objects to Strings< 1 %
- CSV Writer< 1 %
- Table Writer< 1 %
- PCA< 1 %
- Auto-Binner< 1 %
- Create Bit Vector< 1 %
- Many to One< 1 %
- Constant Value Column< 1 %
- Cross Joiner< 1 %
- Table Difference Finder< 1 %
- Rule-based Row Splitter< 1 %
- Bit Vector Distances< 1 %
- Math Formula< 1 %
- Container Input (Table)< 1 %
- RDKit Descriptor Calculation< 1 %
- RDKit RMSD Filter< 1 %
- Dense To Sparse< 1 %
- Sparse To Dense< 1 %
- Fingerprint to Counts List< 1 %
- Fingerprint to Set Bits List< 1 %
- Fingerprint AND< 1 %
- Total Count< 1 %
- Type< 1 %
- MarvinView< 1 %
- MolConverter< 1 %
- Java Snippet< 1 %
- Chunk Loop Start< 1 %
- X-Partitioner< 1 %
- Hierarchical Clustering< 1 %
PCA< 1 %Random Forest Learner< 1 %- Random Forest Learner< 1 %
- Random Forest Learner (Regression)< 1 %
- Random Forest Predictor< 1 %
- Random Forest Predictor (Regression)< 1 %
- Concatenate< 1 %
- Cell Splitter< 1 %
- Column Comparator< 1 %
Number To String< 1 %Column Appender< 1 %- Double to Integer< 1 %
- Duplicate Row Filter< 1 %
Row Splitter (deprecated)< 1 %- Reference Row Splitter< 1 %
- String Splitter (Regex)< 1 %
- RowID< 1 %
- Rule Engine< 1 %
- String Distances< 1 %
- Similarity Search< 1 %
- MoSS MCSS Molecule Similarity< 1 %
- DL4J Feedforward Learner (Classification) (legacy)< 1 %
- Java Snippet Row Splitter< 1 %
- Generic JavaScript View (JavaScript)< 1 %
- R View (Table)< 1 %
- Extract Time Window (legacy)< 1 %
XGBoost Linear Ensemble Learner (Regression)< 1 %- 3D D-Similarity< 1 %
- XLogP< 1 %
- Fingerprints< 1 %
- RDKit Adjust Query Properties< 1 %
- RDKit Interactive Table< 1 %
- RDKit MCS< 1 %
- RDKit Molecule Catalog Filter< 1 %
- RDKit Molecule Fragmenter< 1 %
- RDKit Find Murcko Scaffolds< 1 %
- String Similarity< 1 %
Views
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Workflows
01_Data Access and TransformationKNIME Hub- 01_Data Access and TransformationKNIME Hub
- 01_Data Access and TransformationKNIME Hub
- 01_Data Access and TransformationKNIME Hub
- 02_Bioactivity_Prediction_TransformKNIME Hub
- Show all 16 workflows
Links
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Developers
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