The output file format can be specified as a file extension. Many different output file formats are supported like "mol", "sdf", "smiles", "png", "jpeg", etc.
Options
Popular Predecessors
- Molecule Type Cast9 %
- Concatenate6 %
- Column Filter5 %
- Joiner5 %
Row Splitter (deprecated)3 %String To Number2 %- GroupBy2 %
- R-group Composition2 %
- Standardizer2 %
- String Replacer2 %
- Java Snippet2 %
- Reference Row Filter2 %
Linear Correlation2 %- MolImporter1 %
- MolSearch1 %
Cell Splitter1 %- Sorter1 %
- Set MolName And Comment1 %
- MarvinSketch1 %
Loop End1 %- Column Merger1 %
Row Filter (deprecated)1 %- Row Sampling1 %
- logD1 %
- Major Microspecies1 %
- Advanced MolConverter1 %
- Multiple MolImporter1 %
- MolConverter1 %
- Create File Name (legacy)1 %
Column Appender1 %- Column Resorter1 %
Joiner1 %Column Rename1 %- RowID1 %
- Java Snippet (simple)1 %
- RDKit From Molecule1 %
- Missing Value1 %
- Rule Engine1 %
- Conformers1 %
- Table Row to Variable1 %
- Sphere Exclusion< 1 %
- PubChem Search< 1 %
- Counter Generation< 1 %
- Elemental Analysis< 1 %
- pKa< 1 %
Table Column to Variable< 1 %Concatenate (Optional in)< 1 %- Set Operator< 1 %
- Rule-based Row Splitter< 1 %
File Reader< 1 %- Partitioning< 1 %
- Uni Reactor< 1 %
Table Row to Variable< 1 %- HiLite Row Splitter< 1 %
- Number Rounder< 1 %
- Java Edit Variable (simple)< 1 %
- Column Filter (legacy)< 1 %
- Forge Align< 1 %
- R-group Decomposition< 1 %
Variable Based PdbImporter< 1 %- Column Auto Type Cast< 1 %
- Column Combiner< 1 %
- Constant Value Column< 1 %
- Math Formula< 1 %
- Substructure Search< 1 %
- Tautomers< 1 %
- Numeric Row Splitter< 1 %
- String Manipulation< 1 %
- Path to String (Variable)< 1 %
- Bi Reactor< 1 %
- Chemical Terms< 1 %
- JC4XL Reader< 1 %
- Polar Surface Area< 1 %
- Structure Checker< 1 %
- Uni Reactor (By Input)< 1 %
- Java Edit Variable< 1 %
- Reference Row Splitter< 1 %
- Rule-based Row Filter< 1 %
- JChem Search< 1 %
- LibraryMCS< 1 %
- MolSimilarity< 1 %
- Stereoisomers< 1 %
List Files< 1 %- String Manipulation (Variable)< 1 %
- Renderer to Image< 1 %
- Color Manager< 1 %
- SDF Inserter< 1 %
- Parallel Chunk End< 1 %
- RDKit Diversity Picker< 1 %
- Speedy SMILES Explicit Chirality Splitter< 1 %
- 3D Alignment< 1 %
- logP< 1 %
- Naming< 1 %
- Numeric Binner< 1 %
- String to Number< 1 %
- Column Appender< 1 %
- Numeric Outliers< 1 %
- Fingerprint Similarity< 1 %
Regex Extractor< 1 %
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Workflows
Drug Discovery WorkflowKNIME Hub- Evotec_StructureBasedVirtualScreening_CalibrationKNIME Hub
- Lean_SBVScalibration_forJCAMD_EmbedDataKNIME Hub
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