Structure standardisation for molecules

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