Methods in toxTree.query that throw ReactionException |
org.openscience.cdk.interfaces.IAtomContainerSet |
SimpleReactions.canMetabolize(org.openscience.cdk.interfaces.IAtomContainer mol,
boolean allPossible)
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org.openscience.cdk.interfaces.IAtomContainerSet |
SimpleReactions.canMetabolize(org.openscience.cdk.interfaces.IAtomContainer mol,
boolean allPossible,
org.openscience.cdk.interfaces.IChemObjectBuilder builder)
Checks if 4 predefined metabolic reactions can be applied to Molecule mol |
protected static org.openscience.cdk.interfaces.IMoleculeSet |
SimpleReactions.hydrolize(org.openscience.cdk.interfaces.IAtomContainer a,
org.openscience.cdk.isomorphism.matchers.QueryAtomContainer q,
java.util.List list,
org.openscience.cdk.interfaces.IChemObjectBuilder builder)
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org.openscience.cdk.interfaces.IAtomContainerSet |
SimpleReactions.hydrolizesPO4(org.openscience.cdk.interfaces.IAtomContainer mol)
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org.openscience.cdk.interfaces.IAtomContainerSet |
SimpleReactions.hydrolizesPO4(org.openscience.cdk.interfaces.IAtomContainer mol,
org.openscience.cdk.interfaces.IChemObjectBuilder builder)
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org.openscience.cdk.interfaces.IAtomContainerSet |
SimpleReactions.isReadilyHydrolised(org.openscience.cdk.interfaces.IAtomContainer mol)
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org.openscience.cdk.interfaces.IAtomContainerSet |
SimpleReactions.isReadilyHydrolised(org.openscience.cdk.interfaces.IAtomContainer mol,
org.openscience.cdk.interfaces.IChemObjectBuilder builder)
Checks if 6 predefined hydrolysis reactions can be applied to Molecule
mol |
org.openscience.cdk.interfaces.IMoleculeSet |
SimpleReactions.isReadilyHydrolisedSimpleEster(org.openscience.cdk.interfaces.IAtomContainer mol)
Checks if simple ester hydrolysis can be applied to Molecule mol |
org.openscience.cdk.interfaces.IMoleculeSet |
SimpleReactions.isReadilyHydrolisedSimpleEster(org.openscience.cdk.interfaces.IAtomContainer mol,
org.openscience.cdk.interfaces.IChemObjectBuilder builder)
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static org.openscience.cdk.interfaces.IMoleculeSet |
SimpleReactions.process(org.openscience.cdk.interfaces.IAtomContainer mol,
org.openscience.cdk.interfaces.IReaction reaction)
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static org.openscience.cdk.interfaces.IMoleculeSet |
SimpleReactions.process(org.openscience.cdk.interfaces.IAtomContainer mol,
org.openscience.cdk.interfaces.IReaction reaction,
org.openscience.cdk.interfaces.IChemObjectBuilder builder)
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