rgsrs 0.1.0
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).