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
|
Copyright © 2004–2020 Ideaconsult Ltd.. All rights reserved.