Published Workflows | ana88 | Cdk-SVMlight QSAR

Galaxy Workflow ' Cdk-SVMlight QSAR '

Annotation: QSAR model building and classification

StepAnnotation
Step 1: Input dataset
select at runtime
Active molecules
Step 2: Input dataset
select at runtime
Inactive molecules
Step 3: Input dataset
select at runtime
Step 4: CDKDescriptorCalculation
Output dataset 'output' from step 1
Step 5: CDKDescriptorCalculation
Output dataset 'output' from step 2
Step 6: CDKDescriptorCalculation
Output dataset 'output' from step 3
Step 7: Build QSAR Model: SVMlight
Output dataset 'output' from step 4
Output dataset 'output' from step 5
Step 8: Classify Data :SVMlight
Output dataset 'output' from step 6
select at runtime
model prepared earlier can be tested for unknown activity dataset