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# CITATION file created with {cffr} R package
# See also: https://docs.ropensci.org/cffr/
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cff-version: 1.2.0
message: 'To cite package "pubchem.bio" in publications use:'
type: software
license: GPL-3.0-only
title: 'pubchem.bio: Biologically Informed Metabolomic Libraries from ''PubChem'''
version: 1.0.5
doi: 10.32614/CRAN.package.pubchem.bio
abstract: All 'PubChem' compounds are downloaded to a local computer, but for each
  compound, only partial records are used. The data are organized into small files
  referenced by 'PubChem' CID. This package also contains functions to parse the biologically
  relevant compounds from all 'PubChem' compounds, using biological database sources,
  pathway presence, and taxonomic relationships. Taxonomy is used to generate a lowest
  common ancestor taxonomy ID (NCBI) for each biological metabolite, which then enables
  creation of taxonomically specific metabolome databases for any taxon.
authors:
- family-names: Broeckling
  given-names: Corey
  email: cbroeckl@colostate.edu
repository: https://cran.r-universe.dev
commit: bb6c27d1a8d8bde37fe3cf7f812debaba3537dbe
date-released: '2026-01-21'
contact:
- family-names: Broeckling
  given-names: Corey
  email: cbroeckl@colostate.edu