This node is currently not available in KNIME v5.3 — instead we’re showing this page for KNIME v4.2. You can use the version menu in the title bar to permanently switch your preferred version. This will also show the link to the update site.
Attempts to convert String compatible column to a Marvin cell. Supported file/column formats include any of the following stored as String (SDF, Smiles, InCHI etc.) but not Chime. The output can either be appended as a new column or can replace the original string column.
Options
Popular Successors
- Column Filter5 %
- Molecule Type Cast4 %
- Row Splitter4 %
- Molecular Properties4 %
- Joiner3 %
- Column Resorter3 %
- Substructure Matcher3 %
- Fingerprints3 %
- Loop End3 %
- RDKit Descriptor Calculation2 %
- Fingerprints Expander2 %
- Row Filter2 %
- RDKit From Molecule2 %
- MarvinView2 %
- GroupBy2 %
- Renderer to Image2 %
- OpenBabel2 %
- MolConverter1 %
- Table To Image1 %
- R-Group Decomposer1 %
Table Column to Variable1 %- Chunk Loop Start1 %
- HiLite Row Splitter1 %
- Reference Row Filter1 %
- Data to Report1 %
- CDK to Molecule1 %
- RDKit Fingerprint1 %
- Generate Unique Smiles< 1 %
- Principal Moment of Intertia (PMI)-Derived Properties< 1 %
- String to Table< 1 %
- CSV Writer< 1 %
- Column Rename< 1 %
- RDKit From InChI< 1 %
- RDKit Interactive Table< 1 %
- RDKit Molecule Fragmenter< 1 %
- Murcko Scaffold< 1 %
- Pharmacophore from molecule< 1 %
- Fingerprint Similarity< 1 %
- String to Molecule< 1 %
- Virtual Screening Metrics< 1 %
- Cell Splitter< 1 %
- Missing Value< 1 %
- Row Sampling< 1 %
- Rule-based Row Filter< 1 %
- Rule Engine< 1 %
- Molfile Writer< 1 %
XLS Writer< 1 %- Fingerprint Similarity< 1 %
- Substructure Search< 1 %
- RDKit Canon SMILES< 1 %
- RDKit Molecule Substructure Filter< 1 %
- RDKit One Component Reaction< 1 %
- RDKit To Molecule< 1 %
- RDKit Substructure Filter< 1 %
- Canonical SMILES< 1 %
- Dearomatizer< 1 %
- Fingerprint Similarity< 1 %
- Hydrogen Adder< 1 %
- Hydrogen Remover< 1 %
- Standardizer< 1 %
- Molecule Transformation (beta)< 1 %
- Speedy SMILES Component Count< 1 %
- Speedy SMILES Dummy Atom Atom Class to Isotope Label< 1 %
- Speedy SMILES De-salt< 1 %
- Chemical Fingerprint< 1 %
- Polar Surface Area< 1 %
- Chemical Search< 1 %
- Fragment information< 1 %
- 2D/3D Scatterplot< 1 %
- Automated Matched Pairs< 1 %
- Chemical File Writer< 1 %
- Free-Wilson Matched Pairs< 1 %
- ARFF Writer< 1 %
- Hierarchical Clustering< 1 %
- Numeric Binner< 1 %
- Column Combiner< 1 %
String To Number< 1 %- Missing Value Column Filter< 1 %
- Partitioning< 1 %
Number To String (PMML)< 1 %- RowID< 1 %
- Sorter< 1 %
- Column Splitter< 1 %
- String Replacer< 1 %
- Rule-based Row Splitter< 1 %
- End IF< 1 %
- Color Manager< 1 %
- Interactive Table (local)< 1 %
- SDF Stripper< 1 %
- SDF Writer< 1 %
- Fingerprint Bayesian Predictor< 1 %
- Random Item Inserter< 1 %
- Bar Chart< 1 %
- MoSS MCSS Molecule Similarity< 1 %
- Math Formula< 1 %
- Scatter Plot (JFreeChart)< 1 %
- Java Edit Variable (simple)< 1 %
- Table View< 1 %
- Python Script (2⇒1)< 1 %
- SMARTCyp 2.4.2< 1 %
- Molecule to CDK< 1 %
- 2D Coordinates< 1 %
- Depiction< 1 %
- SMARTS Query< 1 %
- Sum Formula< 1 %
- RDKit Add Hs< 1 %
- RDKit Calculate Charges< 1 %
- RDKit Find Murcko Scaffolds< 1 %
- RDKit Optimize Geometry< 1 %
- RDKit R-Group Decomposition (deprecated)< 1 %
- RDKit Salt Stripper< 1 %
- RDKit SDF Difference Checker< 1 %
- RDKit Substructure Counter< 1 %
Views
- Structures
- View the converted chemical structures with MarvinView.
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.