AMBIT's tautomer generator to enumerate viable tautomers for CDK molecules.
Either the single most viable tautomer or all possible tautomers can be generated.
Ambit-Tautomer: An Open Source Tool for Tautomer Generation. DOI: 10.1002/minf.201200133
AMBIT RESTful web services: an implementation of the OpenTox application programming interface. DOI: 10.1186/1758-2946-3-18
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Popular Predecessors
- Hydrogen Manipulator4 %
- File Reader4 %
- MolConverter4 %
CSV Reader3 %- Table Creator3 %
Row Filter (deprecated)3 %- RDKit Generate Coords3 %
- Molecule to CDK3 %
- Substructure Matcher2 %
- Chunk Loop Start2 %
- Molecule Type Cast2 %
- RDKit From Molecule2 %
- RDKit To Molecule2 %
- RDKit Add Hs2 %
- Joiner2 %
- Tautomer Generator2 %
Row Splitter (deprecated)2 %- MolImporter2 %
Column Rename2 %- SDF Reader2 %
- pKa2 %
Loop End2 %- CDK to Molecule2 %
- Speedy SMILES Enumerate Stereoisomers1 %
- Concatenate1 %
- Create Bit Vector1 %
- OpenBabel1 %
- Molecular Properties1 %
- Substructure Search1 %
- Structure Sketcher1 %
- Chunk Loop Run-for-time Loop Start1 %
- Tautomers1 %
- Reference Row Splitter1 %
- RDKit To InChI1 %
- RDKit Descriptor Calculation1 %
- MarvinSketch< 1 %
- GroupBy< 1 %
- Parallel Chunk Start< 1 %
- 3D Coordinates< 1 %
- Element Filter< 1 %
- RDKit Salt Stripper< 1 %
- Canonical SMILES< 1 %
- Generate 2D Coordinates< 1 %
- Standardizer< 1 %
File Reader< 1 %- Column Filter< 1 %
- RowID< 1 %
- RDKit Interactive Table< 1 %
RDKit Structure Normalizer< 1 %- Generic Run-for-time Loop Start< 1 %
- Load SD-Files (SDF)< 1 %
Table Row to Variable< 1 %- Random Forest Predictor (Regression)< 1 %
- Top k Row Filter< 1 %
Document Data Extractor< 1 %- Atom Signatures< 1 %
- Lipinski's Rule-of-Five< 1 %
- Symmetry< 1 %
- RDKit Add Conformers< 1 %
- Templated Conformer Generation (RDKit)< 1 %
- Chunk Loop Run-to-time Loop Start< 1 %
- Load Text Files< 1 %
ChemSpider (deprecated)< 1 %- Duplicate Row Filter< 1 %
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