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Fetch CompTox chemical details for DTXSIDs and return structured cache

Source: R/curation.R
enrich_candidates.Rd

Calls CompTox chemical detail search to retrieve CASRN, molecular formula, and molecular weight for each unique DTXSID. Supports incremental caching: pass existing_cache to skip already-fetched DTXSIDs.

Usage

enrich_candidates(dtxsids, existing_cache = NULL)

Arguments

dtxsids

Character vector of DTXSIDs to enrich

existing_cache

Optional tibble from a previous enrich_candidates() call. DTXSIDs already present in the cache will not be re-fetched.

Value

Named list with:

  • cache: tibble(dtxsid, casrn, molecular_formula, molecular_weight)

  • failed_dtxsids: character vector of DTXSIDs that could not be fetched