Public
This directory contains 6 workflows.
Molecular Complexity
This component calculates the complexity of molecules by counting the set bits in a molecular fingerprint. This number is then normalized to a scale ranging […]
PubChem_CID2Smiles
This workflow retrieves the Isomeric Smiles for a list of PubChem Compound IDs (CIDs). Isomeric Smiles have preserved stereochemistry.