| Package | Description |
|---|---|
| mutant.rules | |
| toxTree.qsar |
| Modifier and Type | Class and Description |
|---|---|
class |
RuleDACancerogenicityAromaticAmines |
class |
RuleDAMutagenicityABUnsaturatedAldehydes
Returns true if structure is predicted as mutagen , based on linear discriminant analysis over descriptors MR, LogP, LUMO.
|
class |
RuleDAMutagenicityAromaticAmines
Returns true if structure is predicted as mutagen , based on linear discriminant analysis.
|
| Modifier and Type | Class and Description |
|---|---|
class |
AbstractQSARModel |
class |
LinearDiscriminantRule
Uses
LinearQSARModel and returns true if LinearQSARModel.predict(IAtomContainer) is >= LinearDiscriminantRule.getThreshold() and false otherwise. |
class |
LinearQSARModel |
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