This workflow uses RDKit to standardise the input structures. The user can use SDF or SMILES structures and standardise them with various options.
Please note that the workflow requires python > = 3.6 with the RDKit and pandas package.
For more information and support pelase also look at our github repository.
SUPPORT AND FEEDBACK: GitHub Repository https://github.com/PharminfoVienna/Chemical-Structure-Standardisation
Workflow
Structure standardisation for molecules
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