To cite SpectraToQueries in publications use:

Rutz A, Szwarc S (2025). SpectraToQueries: SpectraToQueries provides the infrastructure to translate spectra to queries. R package, version 0.0.9001.

Szwarc, S., Rutz, A., Lee, K. et al. Translating community-wide spectral library into actionable chemical knowledge: a proof of concept with monoterpene indole alkaloids. J Cheminform 17, 62 (2025). https://doi.org/10.1186/s13321-025-01009-0.<doi:10.1186/s13321-025-01009-0>. issn:1758-2946. pmc:PMC12039057. pmid:40296170. qid:Q134267957.

Corresponding BibTeX entries:

  @Manual{,
    title = {SpectraToQueries: SpectraToQueries provides the
      infrastructure to translate spectra to queries},
    author = {Adriano Rutz and Sarah Szwarc},
    year = {2025},
    note = {R package, version 0.0.9001},
  }

  @Article{,
    title = {Translating community-wide spectral library into
      actionable chemical knowledge: a proof of concept with
      monoterpene indole alkaloids},
    author = {Sarah Szwarc and Adriano Rutz and Kyungha Lee and Yassine
      Mejri and Olivier Bonnet and Hazrina Hazni and Adrien Jagora and
      Rany B {Mbeng Obame} and Noh {Jin Kyoung} and Elvis {Otogo
      N'Nang} and Stephenie C Alaribe and Khalijah Awang and Guillaume
      Bernadat and Young Hae Choi and Vincent Courdavault and Michel
      Frederich and Thomas Gaslonde and Florian Huber and Toh-Seok Kam
      and Yun Yee Low and Erwan Poupon and Justin J J {van der Hooft}
      and Kyo Bin Kang and Pierre {Le Pogam} and Mehdi A Beniddir},
    journal = {J. Cheminform.},
    year = {2025},
    volume = {17},
    url = {https://doi.org/10.1186/s13321-025-01009-0},
    language = {en},
    keywords = {Expert knowledge, MS/MS, Monoterpene indole alkaloids,
      Query, Scaffold, Similarity},
    doi = {10.1186/s13321-025-01009-0},
    issn = {1758-2946},
    pmc = {PMC12039057},
    pmid = {40296170},
    qid = {Q134267957},
  }