Allows to sketch molecular structure in the dialog. Upon execute, the structure is available in the output table, i.e. the table contains one row and one column.
Options
Popular Successors
- Concatenate9 %
- RDKit Molecule Substructure Filter7 %
- Molecule Type Cast7 %
- RDKit From Molecule5 %
- Fingerprints4 %
- CDK to Molecule4 %
- Substructure Matcher3 %
- RDKit Canon SMILES3 %
- RDKit Two Component Reaction3 %
- RDKit To Molecule3 %
- RDKit Fingerprint2 %
- RDKit R-Group Decomposition2 %
- MolConverter2 %
- RDKit One Component Reaction2 %
- RDKit Substructure Counter2 %
- Generate Smarts2 %
- Cell Splitter2 %
- Molecule to CDK1 %
- 3D Coordinates1 %
- SMARTSViewer1 %
- Molecular Properties1 %
- XLogP1 %
- SMARTS Query1 %
- RDKit Optimize Geometry1 %
- Molecule Converter (Naomi)1 %
- Table Row to Variable1 %
Column Rename1 %- OpenBabel1 %
- RDKit Chemical Transformation1 %
- 3D Viewer1 %
- ChemSpider1 %
- pKa1 %
- Tautomer Generator< 1 %
- Substructure Search< 1 %
- Sum Formula< 1 %
- Tile View (JavaScript)< 1 %
- Depiction< 1 %
- Hydrogen Manipulator< 1 %
- Reaction Automapper< 1 %
- Naming< 1 %
- SDF Writer< 1 %
- 3D D-Similarity< 1 %
- RDKit Substructure Filter< 1 %
- Fingerprint Similarity< 1 %
- SyGMa Metabolites< 1 %
- Chunk Loop Start< 1 %
Column Appender< 1 %- Constant Value Column< 1 %
- SDF Stripper< 1 %
- Lipinski's Rule-of-Five< 1 %
- RDKit Find Murcko Scaffolds< 1 %
- Reaxys Substances< 1 %
- Reaction Builder< 1 %
- R-Group Decomposer< 1 %
- AutoDock Vina< 1 %
- Elemental Analysis< 1 %
- PubChem Search< 1 %
- Virtual Screening Metrics< 1 %
Tree Ensemble Predictor< 1 %- Similarity Search< 1 %
Python Script (1⇒1)< 1 %- Atom Signatures< 1 %
- 2D Coordinates< 1 %
- 3D D-Moments< 1 %
- Mass Calculator< 1 %
- OPSIN< 1 %
- RDKit Generate Coords< 1 %
- RDKit Add Hs< 1 %
RDKit Structure Normalizer< 1 %- Reaxys Reactions< 1 %
- Advanced MolConverter< 1 %
- MarvinView< 1 %
- Extract pharmacophore points< 1 %
Concatenate (Optional in)< 1 %- Column Appender< 1 %
- Distance Matrix Calculate< 1 %
- Element Filter< 1 %
RDKit Functional Group Filter< 1 %
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