This node calculates Indigo structural fingerprints for structures.
Supported types:
- Molecule: String, SDF, Smiles, CML, Mol, InChI
- Reaction: String, RXN, SMILES
The node is based on the Indigo cheminformatics toolkit.
Options
Popular Successors
- Fingerprint Similarity8 %
- Substructure Matcher6 %
- PCA5 %
Row Splitter (deprecated)4 %- GroupBy4 %
- Expand Bit Vector3 %
- Number to String3 %
Joiner3 %- Distance Matrix Calculate3 %
- Fingerprint Similarity3 %
- RDKit Diversity Picker3 %
- Rule-based Row Filter3 %
- Fingerprint Similarity2 %
- Hydrogen Adder2 %
- Indigo Fingerprint2 %
- Substructure Match Counter2 %
Fingerprint Properties2 %Table Writer2 %- Chunk Loop Start2 %
- String Manipulation2 %
- MolConverter1 %
- Fingerprints Expander1 %
Variable to Table Column1 %- k-Means1 %
- MDS (DistMatrix)1 %
- Column Splitter1 %
- Value Counter1 %
- Rule-based Row Splitter1 %
Distance Matrix Calculate1 %- Similarity Search1 %
- RDKit From Molecule1 %
- RDKit Fingerprint1 %
- Valence Checker< 1 %
- Domain - Similarity< 1 %
- Fingerprint From Set Bits list< 1 %
- Fingerprint to Binary String< 1 %
- Fingerprint to String< 1 %
- Is Empty< 1 %
- Chemical Fingerprint< 1 %
- MarvinView< 1 %
- Java Snippet< 1 %
Loop End< 1 %Recursive Loop Start< 1 %- Hierarchical Clustering< 1 %
- Hierarchical Clustering (DistMatrix)< 1 %
- Decision Tree Predictor< 1 %
PCA Compute< 1 %PCA< 1 %- Column Combiner< 1 %
Number To String< 1 %- String to Number< 1 %
- Column Filter< 1 %
Row Filter (deprecated)< 1 %- Reference Row Filter< 1 %
- Partitioning< 1 %
Column Rename< 1 %- Sorter< 1 %
- Fingerprint Bayesian Learner< 1 %
- Fingerprint Bayesian Predictor< 1 %
- k-Medoids< 1 %
Excel Writer (XLS)< 1 %- RDKit Interactive Table< 1 %
Views
- This node has no views
Workflows
- No workflows found
Links
- No links available
Developers
You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.