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Diffstat (limited to 'science/opsin/pkg-descr')
| -rw-r--r-- | science/opsin/pkg-descr | 17 |
1 files changed, 13 insertions, 4 deletions
diff --git a/science/opsin/pkg-descr b/science/opsin/pkg-descr index f49b9052d4ca..efc128011b63 100644 --- a/science/opsin/pkg-descr +++ b/science/opsin/pkg-descr @@ -1,4 +1,13 @@ -OPSIN is a Java library for IUPAC name-to-structure conversion offering high -recall and precision on organic chemical nomenclature. -Supported outputs are SMILES, CML (Chemical Markup Language) and InChI (IUPAC -International Chemical Identifier). +OPSIN (Open Parser for Systematic IUPAC Nomenclature) is a freely +available, open-source Java library designed to accurately interpret +systematic IUPAC chemical nomenclature and convert it into chemical +structures. It offers high precision and recall for organic chemical +names, including complex heterocycles and stereochemistry. + +OPSIN supports multiple output formats such as SMILES, InChI, and CML, +and can also generate PNG, SVG, and JSON. It can be deployed as a web +service, a local command-line application for bulk conversion, or +integrated into other systems via third-party Python libraries. Its +extensible design and robust parsing mechanism make it a valuable tool +for chemical information extraction from scientific literature and +patents, research and development, and populating chemical databases. |