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Lilly MedChem Rules define molecular pattern associated with promiscuous behavior, encoded in a custom format understood only by corresponding ruby code.This repo aims to translate those pattern to SMARTS so that they can be used independently.
vcanogil/lilly_medchem_smarts
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Lilly MedChem Rules define molecular pattern associated with promiscuous behavior, encoded in a custom format understood only by corresponding ruby code.This repo aims to translate those pattern to SMARTS so that they can be used independently.
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