| Package | Description |
|---|---|
| ambit2.base.data |
Base data structures; no chemistry.
|
| ambit2.core.io |
Input output support.
|
| ambit2.core.processors.batch | |
| ambit2.featureselection | |
| ambit2.groupcontribution.dataset | |
| ambit2.groupcontribution.nmr | |
| ambit2.groupcontribution.nmr.nmr_1h | |
| ambit2.model.numeric | |
| ambit2.reactions | |
| ambit2.reactions.cli | |
| ambit2.reactions.retrosynth | |
| ambit2.reactions.rules.conditions | |
| ambit2.smarts |
SMARTS parser |
| ambit2.smarts.groups | |
| ambit2.smarts.processors | |
| ambit2.tautomers.tools |
| Class and Description |
|---|
| AmbitIOException
TODO add description
|
| QSARModelException
Moved here for compatibility, since qsar package is removed from CDK > 1.3.4
Exception that is thrown by model routines when a problem has occured.
|
| Class and Description |
|---|
| AmbitIOException
TODO add description
|
| Class and Description |
|---|
| AmbitIOException
TODO add description
|
| Class and Description |
|---|
| QSARModelException
Moved here for compatibility, since qsar package is removed from CDK > 1.3.4
Exception that is thrown by model routines when a problem has occured.
|
| Class and Description |
|---|
| AmbitIOException
TODO add description
|
| Class and Description |
|---|
| EmptyMoleculeException |
| Class and Description |
|---|
| EmptyMoleculeException |
| Class and Description |
|---|
| QSARModelException
Moved here for compatibility, since qsar package is removed from CDK > 1.3.4
Exception that is thrown by model routines when a problem has occured.
|
| Class and Description |
|---|
| EmptyMoleculeException |
| Class and Description |
|---|
| AmbitIOException
TODO add description
|
| Class and Description |
|---|
| EmptyMoleculeException |
| Class and Description |
|---|
| EmptyMoleculeException |
| Class and Description |
|---|
| EmptyMoleculeException |
| Class and Description |
|---|
| EmptyMoleculeException |
| Class and Description |
|---|
| EmptyMoleculeException |
| Class and Description |
|---|
| AmbitIOException
TODO add description
|
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