| Package | Description |
|---|---|
| ambit2.smarts |
SMARTS parser |
| Modifier and Type | Method and Description |
|---|---|
ScreeningData |
Screening.getScreeningDataForTarget(org.openscience.cdk.interfaces.IAtomContainer ac)
The
ScreeningData for the target structure |
| Modifier and Type | Method and Description |
|---|---|
boolean |
Screening.checkTarget(ScreeningData targetSD)
PreScreening - run this after the query is set
|
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