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• W2956134087 abstract "Developing predictive and transparent approaches to the analysis of metabolite profiles across patient cohorts is of critical importance for understanding the events that trigger or modulate traits of interest (e.g., disease progression, drug metabolism, chemical risk assessment). However, metabolites’ chemical structures are still rarely used in the statistical modeling workflows that establish these trait-metabolite relationships. Herein, we present a novel cheminformatics-based approach capable of identifying predictive, interpretable, and reproducible trait-metabolite relationships. As a proof-of-concept, we utilize a previously published case study consisting of metabolite profiles from non-small-cell lung cancer (NSCLC) adenocarcinoma patients and healthy controls. By characterizing each structurally annotated metabolite using both computed molecular descriptors and patient metabolite concentration profiles, we show that these complementary features enhance the identification and understanding of key metabolites associated with cancer. Ultimately, we built multi-metabolite classification models for assessing patients’ cancer status using specific groups of metabolites identified based on high structural similarity through chemical clustering. We subsequently performed a metabolic pathway enrichment analysis to identify potential mechanistic relationships between metabolites and NSCLC adenocarcinoma. This cheminformatics-inspired approach relies on the metabolites’ structural features and chemical properties to provide critical information about metabolite-trait associations. This method could ultimately facilitate biological understanding and advance research based on metabolomics data, especially with respect to the identification of novel biomarkers." @default.
• W2956134087 created "2019-07-12" @default.
• W2956134087 creator A5055785853 @default.
• W2956134087 creator A5064332538 @default.
• W2956134087 creator A5072029339 @default.
• W2956134087 creator A5078099175 @default.
• W2956134087 creator A5087842723 @default.
• W2956134087 date "2019-06-24" @default.
• W2956134087 modified "2023-10-18" @default.
• W2956134087 title "Cheminformatics approach to exploring and modeling trait-associated metabolite profiles" @default.
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• W2956134087 cites W1678356000 @default.
• W2956134087 cites W18426938 @default.
• W2956134087 cites W1845196127 @default.
• W2956134087 cites W1850084715 @default.
• W2956134087 cites W1906299496 @default.
• W2956134087 cites W1960974681 @default.
• W2956134087 cites W1973886547 @default.
• W2956134087 cites W1975517602 @default.
• W2956134087 cites W1976327004 @default.
• W2956134087 cites W1987971958 @default.
• W2956134087 cites W1988037271 @default.
• W2956134087 cites W1997996256 @default.
• W2956134087 cites W2008127220 @default.
• W2956134087 cites W2015966320 @default.
• W2956134087 cites W2017076975 @default.
• W2956134087 cites W2022234260 @default.
• W2956134087 cites W2024046085 @default.
• W2956134087 cites W2025060809 @default.
• W2956134087 cites W2031190866 @default.
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• W2956134087 cites W2034902324 @default.
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• W2956134087 cites W2148274922 @default.
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• W2956134087 doi "https://doi.org/10.1186/s13321-019-0366-3" @default.
• W2956134087 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6591908" @default.
• W2956134087 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31236709" @default.
• W2956134087 hasPublicationYear "2019" @default.
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