PUG SOAP With Pipeline Pilot

These examples were created with Pipeline Pilot 6.1.5. To use them, simply save the files to your local disk, then right-click and select Import in the components or protocols tabs in Pipeline Pilot Client. The protocols that read from local (SDF) files will need to be edited to point to your own filesystem.

Components:

• Status Check - must be installed first, as all the protocols below depend on it. Put it in a folder called 'PubChem' in the main components tab.

Protocols:

• Identity search to download
• Identity search to ID list
• Molecular formula search to URL
• Search with SDF
• Standardize from SDF
• CID from SMILES
• Download InChI from CID list
• Substructure search with isotopes
• Assay description
• Assay data download
• Score matrix download