Authors and Citation

Authors

• Adriano Rutz. Author, maintainer.

• Sarah Szwarc. Contributor.

Citation

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

@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},
}

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.

@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},
}