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[ 源代码: opsin  ]

软件包: libopsin-java (2.4.0-2)

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 CML (Chemical Markup Language), SMILES, or InChI.

This package contains the Java library.

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