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Changelog

Source: NEWS.md

rgsrs 0.1.0

CRAN release: 2026-05-05

New functions

  • gsrs_search(): free-text and Lucene-syntax search across GSRS substances, with optional automatic pagination.
  • gsrs_substance(): fetch substance metadata by UNII (vectorized).
  • gsrs_names(): retrieve all registered names / synonyms for one or more UNIIs.
  • gsrs_codes(): retrieve all cross-reference codes (CAS, PubChem, ChEMBL, WHO-ATC, DrugBank, etc.) for one or more UNIIs, with optional code_system filter.
  • gsrs_unii_from_name(): resolve substance names to their UNII identifiers.
  • gsrs_structure(): fetch chemical structure data (SMILES, formula, MW, InChI, stereo info) by UNII.
  • gsrs_structure_search(): substructure, similarity, exact, and flexible structure search by SMILES.
  • gsrs_chem_info(): retrieve chemical structure information from any identifier — name, CAS, UNII, InChIKey, or SMILES.
  • gsrs_hierarchy(): retrieve the parent/child relationship tree for a substance.
  • gsrs_browse(): page through the full GSRS substance catalogue.
  • gsrs_vocabularies(): retrieve all controlled vocabulary terms.
  • gsrs_all(): convenience umbrella returning substance metadata, names, codes, structure, and hierarchy in a single named list.
  • write_dataframes_to_excel(): write a named list of data frames to an Excel workbook (requires openxlsx).