Fingerprints

Input Ports

Table containing molecular structure based on which the fingerprints should be calculated.

Output Ports

As input but with an additional column.

Popular Predecessors

• SDF Reader10 %
• Molecule to CDK5 %
• Rule Engine3 %
• Molecule Type Cast3 %
• Reference Row Filter2 %
• Show all 221 recommendations

Popular Successors

• Fingerprint Similarity13 %
• Expand Bit Vector4 %
• Fingerprints Expander4 %
• Number To String3 %
• Atom Signatures2 %
• Create Bit Vector2 %
• MarvinView1 %
• Table Writer1 %
• Substructure Match Counter1 %
• PCA1 %
• Column Rename1 %
• Fingerprint Similarity1 %
• Column Appender1 %
• Row Splitter (deprecated)1 %
• Fingerprints1 %
• Counting Loop Start< 1 %
• Joiner< 1 %
• Distance Matrix Calculate< 1 %
• Fingerprint to String< 1 %
• Column Filter< 1 %
• Partitioning< 1 %
• RDKit Descriptor Calculation< 1 %
• Fingerprint Properties< 1 %
• Loop End< 1 %
• Number to String< 1 %
• Rule-based Row Filter< 1 %
• Molecular Properties< 1 %
• k-Means< 1 %
• Random Forest Predictor< 1 %
• Random Forest Predictor (Regression)< 1 %
• Simple Regression Tree Predictor< 1 %
• Concatenate< 1 %
• Concatenate (Optional in)< 1 %
• Reference Row Filter< 1 %
• RowID< 1 %
• Fingerprint Bayesian Learner< 1 %
• RDKit Diversity Picker< 1 %
• RDKit Fingerprint Writer< 1 %
• Fingerprint Similarity< 1 %
• Convert Bitvector to FingerPrint< 1 %
• Similarity Viewer< 1 %
• CSV Writer< 1 %
• Chunk Loop Start< 1 %
• X-Partitioner< 1 %
• Hierarchical Cluster View< 1 %
• Gradient Boosted Trees Predictor< 1 %
• Tree Ensemble Predictor (Regression)< 1 %
• Random Forest Learner (Regression)< 1 %
• Constant Value Column< 1 %
• Duplicate Row Filter< 1 %
• Nominal Value Row Filter< 1 %
• Row Filter (deprecated)< 1 %
• Reference Row Splitter< 1 %
• Joiner< 1 %
• Low Variance Filter< 1 %
• Normalizer< 1 %
• Rule Engine< 1 %
• Parallel Chunk End< 1 %
• Similarity Search< 1 %
• Excel Writer< 1 %
• Table View (JavaScript)< 1 %
• XLogP< 1 %
• RDKit Find Murcko Scaffolds< 1 %
• RDKit Fingerprint< 1 %
• Convert Fingerprint to Bitvector< 1 %
• Length< 1 %
• Polarizability< 1 %
• Tree Ensemble Learner< 1 %
• Column Splitter< 1 %
• Fingerprint Bayesian Predictor< 1 %
• MoSS MCSS Molecule Similarity< 1 %
• Python Script (1⇒1)< 1 %
• Molecule to CDK< 1 %
• 3D Coordinates< 1 %
• Substructure Search< 1 %
• RDKit From Molecule< 1 %
• Fast Tanimoto2< 1 %
• Similarity Calculator< 1 %
• Hierarchical Cluster Assigner (local)< 1 %
• DBSCAN< 1 %
• PCA Compute< 1 %
• Random Forest Learner< 1 %
• Cell Replacer< 1 %
• Cell Splitter< 1 %
• Cross Joiner< 1 %
• Nominal Value Row Splitter< 1 %
• Table Manipulator< 1 %
• Missing Value< 1 %
• Statistics< 1 %
• Stacked Area Chart< 1 %
• DL4J Feedforward Learner (Classification) (legacy)< 1 %
• Math Formula< 1 %
• Indigo Fingerprint< 1 %
• Table to Spark< 1 %
• Fingerprint From Set Bits list< 1 %
• Fingerprint to Binary String< 1 %
• Fast Tanimoto< 1 %
• 2D/3D Scatterplot< 1 %
• Automated Matched Pairs< 1 %
• Table Row To Variable Loop Start< 1 %
• Java Snippet< 1 %
• Column List Loop Start< 1 %
• Recursive Loop Start< 1 %
• K Nearest Neighbor< 1 %
• SVM Learner< 1 %
• Gradient Boosted Trees Predictor< 1 %
• Missing Value< 1 %
• XML to PMML< 1 %
• Sorter< 1 %
• Molfile Writer< 1 %
• Counter Generation< 1 %
• Numeric Distances< 1 %
• K Nearest Neighbor (Distance Function)< 1 %
• XLS Writer< 1 %
• Java Snippet (simple)< 1 %
• CDK to Molecule< 1 %
• Depiction< 1 %
• RDKit To InChI< 1 %
• RDKit To Molecule< 1 %
• Search FTrees Fragment Space< 1 %
• Most Similar Molecule(s)< 1 %
• Fingerprint Clustering< 1 %
• Most Similar Molecule(s)< 1 %
• Canonical SMILES< 1 %
• Highlighter< 1 %
• Fingerprint Calculator< 1 %
• Fingerprint Similarity Calculator< 1 %
• Data to Report< 1 %
• Convert Fingerprint to Table< 1 %
• Generate Pairwise Matrix< 1 %
• Hierarchical Clustering< 1 %
• Similarity Matrix (from Molecules)< 1 %
• Speedy SMILES Strip Stereochemistry< 1 %
• Fingerprint From Binary String< 1 %
• Fingerprint to Counts List< 1 %
• Cardinality< 1 %
• Density< 1 %
• Distance (n-D)< 1 %
• Plate Heatmap Viewer< 1 %
• Chemical Fingerprint< 1 %
• Geometrical Descriptors< 1 %
• MolSimilarity< 1 %
• Sphere Exclusion< 1 %
• MolConverter< 1 %
• Interaction Fingerprint Retriever< 1 %
• CheS-Mapper< 1 %
• Activity Cliffs Viewer< 1 %
• Chemical File Writer< 1 %
• Plane of Best Fit Calculator< 1 %
• Virtual Screening Metrics< 1 %
• Byte Vector Distances< 1 %
• Binary Objects to Strings< 1 %
• CSV Writer< 1 %
• Java Edit Variable< 1 %
• Loop End< 1 %
• Interval Loop Start< 1 %
• Generic Loop Start< 1 %
• Group Loop Start< 1 %
• Table Row to Variable Loop Start< 1 %
• Naive Bayes Learner< 1 %
• Naive Bayes Learner< 1 %
• PNN Learner (DDA)< 1 %
• Cluster Assigner< 1 %
• Fuzzy c-Means< 1 %
• Hierarchical Clustering< 1 %
• Hierarchical Clustering (DistMatrix)< 1 %
• MDS< 1 %
• Numeric Scorer< 1 %
• Association Rule Learner< 1 %
• Tree Ensemble Learner (Regression)< 1 %
• Tree Ensemble Predictor (Regression)< 1 %
• Random Forest Learner< 1 %
• Gradient Boosted Trees Learner< 1 %
• Gradient Boosted Trees Predictor (Regression)< 1 %
• Tree Ensemble Learner< 1 %
• Tree Ensemble Learner (Regression)< 1 %
• Tree Ensemble Predictor< 1 %
• Random Forest Learner< 1 %
• Random Forest Predictor< 1 %
• Simple Regression Tree Learner< 1 %
• Distance Matrix Pair Extractor< 1 %
• Auto-Binner< 1 %
• Numeric Binner< 1 %
• Column Auto Type Cast< 1 %
• Column Comparator< 1 %
• String To Number< 1 %
• Column Aggregator< 1 %
• Column Rename (Regex)< 1 %
• Correlation Filter< 1 %
• Edit Numeric Domain< 1 %
• Equal Size Sampling< 1 %
• Column Filter< 1 %
• GroupBy< 1 %
• Subset Matcher< 1 %
• Normalizer< 1 %
• Row Sampling< 1 %
• Unpivot< 1 %
• Rule-based Row Splitter< 1 %
• Similarity Search< 1 %
• One-way ANOVA< 1 %
• Extract Table Dimension< 1 %
• Color Manager< 1 %
• Interactive Table (legacy)< 1 %
• Molecule Type Cast< 1 %
• SDF Writer< 1 %
• DB Insert< 1 %
• Bit Vector Distances< 1 %
• Matrix Distance< 1 %
• k-Medoids< 1 %
• MoSS< 1 %
• HeatMap (JFreeChart)< 1 %
• Excel Writer (XLS)< 1 %
• Excel Writer (XLS)< 1 %
• Term Co-Occurrence Counter< 1 %
• RandomForest (3.7)< 1 %
• SelfOrganizingMap (3.7)< 1 %
• Weka Predictor (3.7)< 1 %
• Range Slider Filter Definition (legacy)< 1 %
• Heatmap (JavaScript)< 1 %
• Container Output (JSON)< 1 %
• Distance Matrix to Network< 1 %
• Add Table to R< 1 %
• R Learner< 1 %
• XGBoost Tree Ensemble Learner (Regression)< 1 %
• Binary Scorer< 1 %
• BitSetToColumns< 1 %
• Connectivity< 1 %
• 3D D-Similarity< 1 %
• Lipinski's Rule-of-Five< 1 %
• Hydrogen Manipulator< 1 %
• Mass Calculator< 1 %
• Symmetry< 1 %
• 3D Viewer< 1 %
• RDKit Add Conformers< 1 %
• RDKit Add Hs< 1 %
• RDKit Canon SMILES< 1 %
• RDKit Salt Stripper< 1 %
• RDKit Substructure Filter< 1 %