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MolVS is a molecule validation and standardization tool, written in Python using the RDKit chemistry framework.
Building a collection of chemical structures from different sources can be difficult due to differing representations, drawing conventions and mistakes. MolVS can standardize chemical structures to improve data quality, help with de-duplication and identify relationships between molecules.
The available standardization tasks include disconnecting metals, normalizing the drawing of functional groups, reionizing partially ionized acids, discarding salts and solvents, choosing a canonical tautomer, neutralizing charges and more.
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