Package | Description |
---|---|
ambit2.core.processors | |
ambit2.smarts.processors |
Modifier and Type | Class and Description |
---|---|
class |
FragmentProcessor
Keeps the largest fragment
|
class |
IsotopesProcessor
Sets the mass number to the most abundant isotope
|
Modifier and Type | Class and Description |
---|---|
class |
NeutraliseProcessor
Chemical structure neutralisation via set of predefined SMIRKS
/smirks/smirks.json . |
class |
SMIRKSProcessor |
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