CDK to Molecule

Input Ports

Table containing CDK molecules

Output Ports

Table with the molecules' converted string representations

Popular Predecessors

• Molecule to CDK12 %
• Substructure Search5 %
• GroupBy4 %
• Fingerprint Similarity4 %
• File Reader4 %
• Show all 88 recommendations

Popular Successors

• RDKit From Molecule5 %
• SDF Writer4 %
• Smiles Directory Writer3 %
• Fingerprints3 %
• 3D Viewer2 %
• Excel Writer2 %
• Create Bit Vector2 %
• Mol2 Writer2 %
• OpenBabel2 %
• Concatenate2 %
• Molecule Type Cast2 %
• Column Splitter2 %
• RDKit Add Hs2 %
• RDKit Descriptor Calculation2 %
• RDKit Optimize Geometry2 %
• Column Resorter1 %
• Joiner1 %
• Partitioning1 %
• Molecule to CDK1 %
• Hydrogen Remover1 %
• Standardizer1 %
• Data to Report1 %
• Loop End1 %
• String Manipulation1 %
• Substructure Matcher1 %
• Molecule to Indigo1 %
• MolConverter1 %
• Java Snippet1 %
• Random Forest Learner1 %
• Column Filter1 %
• Row Filter (deprecated)1 %
• Reference Row Filter1 %
• Column Rename1 %
• Excel Writer (XLS)1 %
• Bag of Words Creator1 %
• CDK to Molecule1 %
• Connectivity1 %
• Molecular Properties1 %
• RDKit Canon SMILES1 %
• RDKit One Component Reaction1 %
• RDKit Salt Stripper1 %
• Tautomer Generator< 1 %
• Activity Cliffs Viewer< 1 %
• Table Writer< 1 %
• Rule Engine< 1 %
• SDF Inserter< 1 %
• Fingerprint Similarity< 1 %
• Mass Calculator< 1 %
• SMARTS Query< 1 %
• RDKit Structure Normalizer< 1 %
• Descriptor< 1 %
• Speedy SMILES De-salt< 1 %
• Chemical Search< 1 %
• CheS-Mapper< 1 %
• CSV Writer< 1 %
• Random Forest Predictor< 1 %
• RowID< 1 %
• Numeric Row Splitter< 1 %
• RDKit Molecule Substructure Filter< 1 %
• RDKit Fingerprint< 1 %
• Search FTrees Fragment Space< 1 %
• CIR< 1 %
• R-Group Decomposer< 1 %
• Principal Moment of Intertia (PMI)-Derived Properties< 1 %
• BARD Search by Structure< 1 %
• SyGMa Metabolites< 1 %
• Database Writer< 1 %
• Cross Joiner< 1 %
• Joiner< 1 %
• Rule-based Row Filter< 1 %
• Interactive Table (legacy)< 1 %
• Molfile Writer< 1 %
• Parallel Chunk Start< 1 %
• Distance Matrix Writer< 1 %
• Bar Chart (JFreeChart)< 1 %
• Python Script (1⇒1)< 1 %
• Depiction< 1 %
• Lipinski's Rule-of-Five< 1 %
• Element Filter< 1 %
• Hydrogen Manipulator< 1 %
• Sugar Remover< 1 %
• RDKit Molecule Fragmenter< 1 %
• RDKit To Molecule< 1 %
• Write MDB< 1 %
• Chemspace Advanced Search< 1 %
• Canonical SMILES< 1 %
• Dearomatizer< 1 %
• Generate 2D Coordinates< 1 %
• Murcko Scaffold< 1 %
• MCS Scaffold Finder< 1 %
• Standard Properties< 1 %
• Tautomer Generator< 1 %
• Fingerprint< 1 %
• Molecule-to-MAE< 1 %
• PMI Calculation< 1 %
• Speedy SMILES Enumerate Stereoisomers< 1 %
• Loop End (Upto 6 ports)< 1 %
• Advanced MolConverter< 1 %
• MarvinView< 1 %
• Molecule Properties< 1 %
• Pharmacophore from molecule< 1 %
• Chemical File Writer< 1 %
• Split Collection Column< 1 %
• URI to String< 1 %
• CSV Writer< 1 %
• Counting Loop Start< 1 %
• Chunk Loop Start< 1 %
• Recursive Loop Start (2 ports)< 1 %
• Table Row to Variable Loop Start< 1 %
• Linear Regression Learner< 1 %
• Bootstrap Sampling< 1 %
• Cell Splitter< 1 %
• Column Auto Type Cast< 1 %
• Number To String< 1 %
• Column Aggregator< 1 %
• Column Appender< 1 %
• Constant Value Column< 1 %
• Duplicate Row Filter< 1 %
• Filter Apply Row Splitter< 1 %
• Missing Value Column Filter< 1 %
• Row Splitter (deprecated)< 1 %
• Missing Value< 1 %
• String Replacer< 1 %
• Table Transposer< 1 %
• Renderer to Image< 1 %
• Rule-based Row Splitter< 1 %
• Extract Table Dimension< 1 %
• Color Manager< 1 %
• SDF Extractor< 1 %
• Table to PDF (legacy)< 1 %
• Table to PDF< 1 %
• MoSS MCSS Molecule Similarity< 1 %
• External Tool< 1 %
• XLS Writer< 1 %
• Excel Sheet Appender (XLS)< 1 %
• Excel Writer (XLS)< 1 %
• ClassificationViaRegression (3.7)< 1 %
• R View (Table)< 1 %
• SMARTCyp 2.4.2< 1 %
• Atom Signatures< 1 %
• 2D Coordinates< 1 %
• 3D Coordinates< 1 %
• 3D D-Similarity< 1 %
• XLogP< 1 %
• RDKit Generate Coords< 1 %
• RDKit Functional Group Filter< 1 %
• RDKit Interactive Table< 1 %
• RDKit To InChI< 1 %
• RDKit R-Group Decomposition (deprecated)< 1 %
• RDKit Substructure Filter< 1 %
• RDKit Substructure Counter< 1 %
• RDKit Two Component Reaction< 1 %
• CIR< 1 %
• PaDEL-Descriptor< 1 %