Computes the bit vector similarity of one or multiple query fingerprints to a set of data fingerprints. If multiple queries should be used the respective checkbox should be ticked and an appropriate fusion method selected.
Options
Popular Successors
- Interactive Histogram (legacy)4 %
- HeatMap (JFreeChart)4 %
Table Writer3 %- Create Bit Vector3 %
Column Rename3 %- Fingerprint Similarity2 %
Loop End2 %- GroupBy2 %
- Joiner2 %
Row Filter (deprecated)2 %Joiner2 %- Rule Engine2 %
- Interactive Table (legacy)2 %
- Loop End2 %
- Concatenate2 %
Concatenate (Optional in)2 %- Math Formula2 %
Excel Writer (XLS)2 %- Speedy SMILES Chiral Centre Count1 %
- Fingerprint Similarity1 %
Column Appender1 %- Column Appender1 %
- Column Filter1 %
Row Splitter (deprecated)1 %- Rank1 %
- Numeric Row Splitter1 %
- Sorter1 %
- Rule-based Row Filter1 %
- Color Manager1 %
- SDF Writer1 %
- Distance Matrix Calculate1 %
- Similarity Search1 %
- Heatmap (JavaScript)1 %
- Fingerprint Similarity1 %
- RDKit Descriptor Calculation1 %
- 2D/3D Scatterplot1 %
- Parallel Chunk End1 %
- Java Snippet (simple)1 %
- MarvinView< 1 %
- Desirability Ranking< 1 %
Scorer< 1 %- Reference Row Splitter< 1 %
- Normalizer< 1 %
- Row Sampling< 1 %
- Statistics< 1 %
- Numeric Distances< 1 %
- RDKit Diversity Picker< 1 %
- Distance (n-D)< 1 %
CSV Writer< 1 %- Chunk Loop Start< 1 %
Recursive Loop End (2 ports)< 1 %- k-Means< 1 %
- Auto-Binner< 1 %
String To Number< 1 %- Filter Apply< 1 %
- Reference Row Filter< 1 %
Rule Engine< 1 %- Rule-based Row Splitter< 1 %
- Fingerprint Bayesian Learner< 1 %
- Matrix Distance< 1 %
- MoSS MCSS Molecule Similarity< 1 %
- Scatter Plot (JavaScript)< 1 %
- RDKit Fingerprint< 1 %
- Fingerprint From String< 1 %
- Benchmark End< 1 %
- 1D Kernel Density Plot< 1 %
Fingerprint Properties< 1 %- Plate Heatmap Viewer< 1 %
- R Plot< 1 %
- Virtual Screening Metrics< 1 %
- Split Collection Column< 1 %
- CSV Writer< 1 %
- Java Snippet< 1 %
- Loop End (Column Append)< 1 %
- Group Loop Start< 1 %
- Hierarchical Clustering< 1 %
- Hierarchical Clustering (DistMatrix)< 1 %
- OPTICS Cluster Compute< 1 %
- Cell Splitter< 1 %
- Constant Value Column< 1 %
- Cross Joiner< 1 %
- Reference Column Filter< 1 %
- Nominal Value Row Filter< 1 %
- Partitioning< 1 %
- RowID< 1 %
- Column Splitter< 1 %
- Top k Row Filter< 1 %
CASE Switch Data (End)< 1 %- Scatter Plot (legacy)< 1 %
- ROC Curve (legacy)< 1 %
- Bit Vector Distances< 1 %
- Distance Matrix Writer< 1 %
- OpenBabel< 1 %
- Scatter Plot (JFreeChart)< 1 %
- Table View (JavaScript)< 1 %
- ROC Curve (JavaScript)< 1 %
- Object Inserter< 1 %
- Connectivity< 1 %
- Molecular Properties< 1 %
- Fingerprints< 1 %
- Substructure Search< 1 %
- RDKit Canon SMILES< 1 %
- RDKit Molecule Highlighting< 1 %
- RDKit Interactive Table< 1 %
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Workflows
Docking Pose ClusteringKNIME Forum- Docking Pose Clustering v2KNIME Forum
- Docking Pose Clustering v3KNIME Hub
- Exercise 6_3 - Netflix Recommender EngineKNIME Hub
- Exercise 6_3 - Netflix Recommender EngineKNIME Hub
- Show all 7 workflows
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