| Package | Description |
|---|---|
| toxTree.query |
Various classes
|
| toxtree.tree |
| Modifier and Type | Method and Description |
|---|---|
org.openscience.cdk.interfaces.IAtomContainerSet |
SimpleReactions.canMetabolize(org.openscience.cdk.interfaces.IAtomContainer mol,
boolean allPossible) |
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.IAtomContainerSet |
SimpleReactions.hydrolize(org.openscience.cdk.interfaces.IAtomContainer a,
org.openscience.cdk.isomorphism.matchers.QueryAtomContainer q,
List list,
org.openscience.cdk.interfaces.IChemObjectBuilder builder) |
org.openscience.cdk.interfaces.IAtomContainerSet |
SimpleReactions.hydrolizesPO4(org.openscience.cdk.interfaces.IAtomContainer mol) |
org.openscience.cdk.interfaces.IAtomContainerSet |
SimpleReactions.hydrolizesPO4(org.openscience.cdk.interfaces.IAtomContainer mol,
org.openscience.cdk.interfaces.IChemObjectBuilder builder) |
org.openscience.cdk.interfaces.IAtomContainerSet |
SimpleReactions.isReadilyHydrolised(org.openscience.cdk.interfaces.IAtomContainer mol) |
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.IAtomContainerSet |
SimpleReactions.isReadilyHydrolisedSimpleEster(org.openscience.cdk.interfaces.IAtomContainer mol)
Checks if simple ester hydrolysis can be applied to Molecule mol
|
org.openscience.cdk.interfaces.IAtomContainerSet |
SimpleReactions.isReadilyHydrolisedSimpleEster(org.openscience.cdk.interfaces.IAtomContainer mol,
org.openscience.cdk.interfaces.IChemObjectBuilder builder) |
static org.openscience.cdk.interfaces.IAtomContainerSet |
SimpleReactions.process(org.openscience.cdk.interfaces.IAtomContainer mol,
org.openscience.cdk.interfaces.IReaction reaction) |
static org.openscience.cdk.interfaces.IAtomContainerSet |
SimpleReactions.process(org.openscience.cdk.interfaces.IAtomContainer mol,
org.openscience.cdk.interfaces.IReaction reaction,
org.openscience.cdk.interfaces.IChemObjectBuilder builder) |
| Modifier and Type | Method and Description |
|---|---|
org.openscience.cdk.interfaces.IAtomContainerSet |
Reactor.process(org.openscience.cdk.interfaces.IAtomContainer molecule) |
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