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[ Source: opsin  ]

Package: libopsin-java (1.2.0-1)

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Chemical name to structure converter

OPSIN (Open Parser for Systematic IUPAC Nomenclature) converts IUPAC compound names to semantic chemical information and outputs a structure either as as CML (Chemical Markup Language), SMILES, or InChI.

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all 1,628.9 kB2,786.0 kB [list of files]