Galaxy | Published Workflow | Filters: Drug-like molecules / MPDS 1.0.1

Published Workflows | aparna | Filters: Drug-like molecules

Galaxy Workflow ' Filters: Drug-like molecules'

Annotation:

Step	Annotation
Step 1: Input dataset Input Dataset select at runtime
Step 2: Descriptor Calculator Read data from your current history Output dataset 'output' from step 1
Step 3: DruLiTo Molecular Descriptors File Output dataset 'output' from step 2 All Lipinski's Rule Ghose Filter CMC-50-Like Rule Veber Filter MDDR Like Rule BBB-Likeness Unweigthed QED Weighted QED
Step 4: Segregate Molecules for Futher Analysis Choose the DruLiTo output file Output dataset 'druglike' from step 3 All False Lipinski's Rule False Ghose Filter False CMC-50-Like Rule False Veber Filter False MDDR Like Rule False BBB-Likeness False Unweigthed QED False Weighted QED False

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aparna

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