Converts InChI codes to RDKit molecules. Additionally, it offers options to generate extra information about the generation process (return code, message, log message).
Options
Popular Successors
- RDKit Canon SMILES5 %
- RDKit To InChI5 %
CSV Writer4 %- RDKit To Molecule3 %
- Advanced MolConverter2 %
Row Filter (deprecated)2 %- Joiner2 %
- MolConverter2 %
- Column Filter2 %
- Constant Value Column2 %
- Molecule Type Cast2 %
- SDF Writer2 %
- Reference Row Splitter2 %
- Renderer to Image2 %
- URL Extractor2 %
- Speedy SMILES Remove d-Block Metal-containing Molecules Filter1 %
- LibraryMCS1 %
- Concatenate1 %
- Column Resorter1 %
Row Splitter (deprecated)1 %- Rule Engine1 %
- OpenBabel1 %
- Table View (JavaScript)1 %
- Molecular Properties1 %
- Fingerprints1 %
- RDKit Calculate Charges1 %
- RDKit Descriptor Calculation1 %
- RDKit From InChI1 %
- RDKit From Molecule1 %
- RDKit Molecule Extractor1 %
- RDKit Fingerprint1 %
- RDKit Salt Stripper1 %
- ChemSpider1 %
- Duplicate Row Filter1 %
- GroupBy1 %
Excel Writer (XLS)1 %- 2D Coordinates1 %
- Lipinski's Rule-of-Five1 %
- RDKit Add Hs1 %
- RDKit Molecule Catalog Filter1 %
- RDKit SMILES Headers1 %
RDKit Structure Normalizer1 %- Substructure Matcher< 1 %
Table Row to Variable< 1 %- Column Merger< 1 %
Joiner< 1 %- RDKit Interactive Table< 1 %
- RDKit Molecule Fragmenter< 1 %
- RDKit Optimize Geometry< 1 %
- Murcko Scaffold< 1 %
MarvinSpace< 1 %- MarvinView< 1 %
Loop End< 1 %- Partitioning< 1 %
Column Rename< 1 %- Sorter< 1 %
- Rule-based Row Filter< 1 %
- Parallel Chunk End< 1 %
Excel Sheet Appender (XLS)< 1 %- Java Snippet (simple)< 1 %
- RDKit Generate Coords< 1 %
- RDKit From IUPAC< 1 %
- RDKit MCS< 1 %
- RDKit One Component Reaction< 1 %
- InChi< 1 %
- Molecule Properties< 1 %
- Speedy SMILES Remove Dummy Atoms Filter< 1 %
- Speedy SMILES Remove Multicomponent molecules Splitter< 1 %
- Speedy SMILES Enumerate Stereoisomers< 1 %
- Automated Matched Pairs< 1 %
- Binary Objects to PNGs< 1 %
- Catch Errors (Data Ports)< 1 %
- CSV Writer< 1 %
- Chunk Loop Start< 1 %
- X-Partitioner< 1 %
Cell Splitter< 1 %- Category to Number< 1 %
Number To String< 1 %- String Manipulation< 1 %
- Empty Table Switch< 1 %
- Smiles Directory Writer< 1 %
- Parallel Chunk Start< 1 %
- MoSS< 1 %
- R Snippet< 1 %
- RDKit Adjust Query Properties< 1 %
- RDKit Diversity Picker< 1 %
RDKit Functional Group Filter< 1 %- RDKit Molecule Substructure Filter< 1 %
- RDKit Find Murcko Scaffolds< 1 %
- RDKit Count-Based Fingerprint< 1 %
- RDKit Substructure Filter< 1 %
- RDKit Substructure Counter< 1 %
- RDKit Two Component Reaction< 1 %
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Workflows
03.2 Integrating External Tools - solutionKNIME Hub- 06. Integrating External ToolsKNIME Hub
- 06. Integrating External Tools - solutionKNIME Hub
- 06. Integrating External Tools - solutionKNIME Hub
- 06. Integrating External Tools - solutionKNIME Hub
- Show all 9 workflows
Links
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Developers
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