The hardware and bandwidth for this mirror is donated by METANET, the Webhosting and Full Service-Cloud Provider.
If you wish to report a bug, or if you are interested in having us mirror your free-software or open-source project, please feel free to contact us at mirror[@]metanet.ch.
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).These binaries (installable software) and packages are in development.
They may not be fully stable and should be used with caution. We make no claims about them.