Hi, I would like to perform a substructure search in which a racemic chiral SMARTS finds only racemic compounds and not those that have specified stereochemistry, e.g these compounds from the COVID moonshot project:
Does anyone know if there’s a way to specify this distinction in an rdkit substructure search? Thanks, Lauren Dr Lauren Reid Computational Chemist / Developer lauren.r...@medchemica.com www.medchemica.com Medchemica Ltd is a company registered in England and Wales with company number 8162245.
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