The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information
Open accessAbstract
Mass spectrometry is a predominant experimental technique in metabolomics and related fields, but metabolite structural elucidation remains highly challenging. We report SIRIUS 4 ( https://bio.informatik.uni-jena.de/sirius/ ), which provides a fast computational approach for molecular structure identification. SIRIUS 4 integrates CSI:FingerID for searching in molecular structure databases. Using SIRIUS 4, we achieved identification rates of more than 70% on challenging metabolomics datasets. SIRIUS 4 is a fast and highly accurate tool for molecular structure interpretation from mass-spectrometry-based metabolomics data.
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LeCun, Y., Bengio, Y., & Hinton, G. (2015) · Nature · doi:10.1038/nature14539 · Cited by 84,126
PubChem Substance and Compound databases
Kim, S., Thiessen, P. A., Bolton, E. E., Chen, J., Fu, G., Gindulyte, A., Han, L., He, J., He, S., Shoemaker, B. A., et al. (2016) · Nucleic Acids Research · doi:10.1093/nar/gkv951 · Cited by 5,436
Identifying Mislabeled Training Data
Brodley, C. E., & Friedl, M. A. (1999) · Journal of Artificial Intelligence Research · doi:10.1613/jair.606 · Cited by 612
Commensal bacteria make GPCR ligands that mimic human signalling molecules
Cohen, L. J., Esterhazy, D., Kim, S.-H., Lemetre, C., Aguilar, R. R., Gordon, E. A., Pickard, A. J., Cross, J. R., Emiliano, A. B., Han, S. M., et al. (2017) · Nature · doi:10.1038/nature23874 · Cited by 500
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Greener, J. G., Kandathil, S. M., Moffat, L., & Jones, D. T. (2022) · Nature Reviews Molecular Cell Biology · doi:10.1038/s41580-021-00407-0 · Cited by 2,127
Feature-based molecular networking in the GNPS analysis environment
Nothias, L.-F., Petras, D., Schmid, R., Dührkop, K., Rainer, J., Sarvepalli, A., Protsyuk, I., Ernst, M., Tsugawa, H., Fleischauer, M., et al. (2020) · Nature Methods · doi:10.1038/s41592-020-0933-6 · Cited by 1,634
Self-citationIntegrative analysis of multimodal mass spectrometry data in MZmine 3
Schmid, R., Heuckeroth, S., Korf, A., Smirnov, A., Myers, O., Dyrlund, T. S., Bushuiev, R., Murray, K. J., Hoffmann, N., Lu, M., et al. (2023) · Nature Biotechnology · doi:10.1038/s41587-023-01690-2 · Cited by 1,241
Self-citationSystematic classification of unknown metabolites using high-resolution fragmentation mass spectra
Dührkop, K., Nothias, L.-F., Fleischauer, M., Reher, R., Ludwig, M., Hoffmann, M. A., Petras, D., Gerwick, W. H., Rousu, J., Dorrestein, P. C., et al. (2021) · Nature Biotechnology · doi:10.1038/s41587-020-0740-8 · Cited by 860
Self-citationCFM-ID 4.0: More Accurate ESI-MS/MS Spectral Prediction and Compound Identification
Wang, F., Liigand, J., Tian, S., Arndt, D., Greiner, R., & Wishart, D. S. (2021) · Analytical Chemistry · doi:10.1021/acs.analchem.1c01465 · Cited by 409
Metadata
- Authors
- Dührkop, K., Fleischauer, M., Ludwig, M., Aksenov, A. A., Melnik, A. V., Meusel, M., Dorrestein, P. C., Rousu, J., & Böcker, S.
- Venue
- Nature Methods
- Published
- 2019-03-18
- Volume
- 16
- Issue
- 4
- Pages
- 299-302
- ISSN
- 1548-7091 (ISSN-L)
- 1548-7105
- OpenAlex
- W2922522932
- Cited by
- 2,060
- References
- 4
- FWCI
- 36.81
- Type
- journal article
- Language
- en
- Open access
- hybrid
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- Dührkop, K., Fleischauer, M., Ludwig, M., Aksenov, A. A., Melnik, A. V., Meusel, M., Dorrestein, P. C., Rousu, J., & Böcker, S. (2019). SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information. Nature Methods. https://doi.org/10.1038/s41592-019-0344-8
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