Application of pattern recognition methods to the analysis and classification of toxicological data derived from proton nuclear magnetic resonance spectroscopy of urine.
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Summary
Initial training set maps were fundamentally stable to the addition of new data, and both NLM and PCA methods correctly "predicted" the toxicological effects from NMR data for test compounds, suggesting that the approach using PR and 1H NMR urinalysis for the generation and classification of acute toxicological data has wide applicability.
- Type
- article
- Published
- 1991-05-01
- Cited by
- 172
- References
- 0
- OpenAlex
- https://openalex.org/W1908647219
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:23781030
Keywords
Principal component analysis, Pattern recognition (psychology), Artificial intelligence, Linear discriminant analysis, Urinalysis
References
Cited by
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- Pattern recognition analysis of in vivo magnetic resonance spectra.
- A multidisciplinary study of human exposure to arsenic and other trace elements
- Identifying and Implementing the Underlying Operators for Nuclear Magnetic Resonance based Metabolomics Data Analysis
- Computational Analysis of Metabolomic Toxicological Data Derived from NMR Spectroscopy
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- Quantitative structure-metabolism relationships for substituted benzoic acids in the rat. Computational chemistry, NMR spectroscopy and pattern recognition studies.
- 1H NMR spectroscopic identification of non-invasive biomarkers of acute rejection and delayed graft function in renal transplantation
- Studies on the biochemical effects of the aldose reductase inhibitor 2,7-difluorospirofluorene-9,5'-imidazolidine-2',4'-dione (Al 1576, HOE 843). Detection of D-glucaric and D-glucuronic acid excretion by high resolution 1H and 13C NMR spectroscopy.
- Alignment of metabolic trajectories with application to metabonomic toxicology
- Metabonomics in pharmaceutical R & D
- Identification of new derivatives of sinigrin and glucotropaeolin produced by the human digestive microflora using 1H NMR spectroscopy analysis of in vitro incubations.
- Metabonomics: a platform for studying drug toxicity and gene function
- Metabonomics: metabolic processes studied by NMR spectroscopy of biofluids
- A metabonomics approach as a means for identification of potential biomarkers for early diagnosis of endometriosis.
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