This node generates reactions by the specified reaction pattern and the input molecules. See the examples for more details.
Supported types:
- Query reaction: String, Rxn, Smiles, SMARTS
The node is based on the Indigo cheminformatics toolkit.
Options
Popular Predecessors
- Row Filter14 %
- RDKit From Molecule12 %
- MarvinSketch9 %
- Chunk Loop Start4 %
- RDKit Canon SMILES4 %
- File Reader (Complex Format)4 %
- Table Creator4 %
- Rxn/RD Reader4 %
- RDKit Descriptor Calculation4 %
- OpenBabel2 %
RDKit Functional Group Filter2 %- RDKit Substructure Filter2 %
- Combinatorial Reaction Enumeration (beta)1 %
- Reaction Automapper1 %
- Substructure Matcher1 %
- MolConverter1 %
- Column Filter1 %
File Reader1 %- Column Filter (legacy)1 %
- Row Sampling1 %
- Canonical SMILES< 1 %
- Hydrogen Adder< 1 %
- Hydrogen Remover< 1 %
- Reaction Builder< 1 %
- Molecule Transformation (beta)< 1 %
Column Rename< 1 %- Molecule Type Cast< 1 %
- SDF Reader< 1 %
- RDKit Aromatizer< 1 %
- Atom Replacer< 1 %
- Aromatizer< 1 %
- Bond Replacer< 1 %
- Dearomatizer< 1 %
- Reaction Splitter< 1 %
- Standardizer< 1 %
- Advanced MolConverter< 1 %
- Catch Errors (Data Ports)< 1 %
Table Column to Variable< 1 %- Constant Value Column< 1 %
- Reference Row Filter< 1 %
- Math Formula< 1 %
Excel Reader (XLS)< 1 %- RDKit Kekulizer< 1 %
- RDKit One Component Reaction< 1 %
- RDKit To Molecule< 1 %
- RDKit Salt Stripper< 1 %
- RDKit Two Component Reaction< 1 %
- Try (Data Ports)< 1 %
- Column Appender< 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.