
Generates an Excel workbook containing information on all Analytical QC records that contain a given list of DTXSIDs
Source:R/chemi_amos_analytical_qc_batch.R
chemi_amos_analytical_qc_batch.RdUsage
chemi_amos_analytical_qc_batch(
base_url = NULL,
ids = NULL,
include_classyfire = NULL,
include_functional_uses = NULL,
include_source_counts = NULL,
methodologies = NULL
)Arguments
- base_url
URL for the AMOS frontend. Used to construct the internal links in the output file.
- ids
List of DTXSIDs or other identifiers to search for.
- include_classyfire
Flag for whether to include the top four levels of a ClassyFire classification for each of the searched substances, if it exists.
- include_functional_uses
Flag for whether to include functional use classifications based on the ChemFuncT ontology. Only exists for around 21,000 substances in the database.
- include_source_counts
Flag for whether to include counts of a substance's appearances in patents, PubMed articles, and other external sources.
- methodologies
Filters the returned results by analytical methodologies. This argument should be a dictionary with four keys with boolean values – "all", "GC/MS", "LC/MS", and "NMR". There are some methodologies with small numbers of records (e.g., IR spectra) which will only appear in the data if "all" is set to true.