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Metabolomics and genomics in natural products research: complementary tools for targeting new chemical entities

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Advances in decomposing complex metabolite mixtures using substructure- and network-based computational metabolomics approaches

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Effect of drying method on the anticancer activity and metabolite profile of Mango (Mangifera indica) leaf extracts as revealed using LC‐MS/MS metabolomics

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Unraveling the metabolomic architecture of autism in a large Danish population-based cohort

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A Relook into the Flavonoid Chemical Space of Moringa oleifera Lam. Leaves through a Combination of LC-MS and Molecular Networking

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Metabolomic Profiling of Iris palaestina via Molecular Networking and Its Anti-Diabetic Potential

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Untargeted In Silico Compound Classification—A Novel Metabolomics Method to Assess the Chemodiversity in Bryophytes

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Evaluation of Ion Mobility Spectrometry for Improving Constitutional Assignment in Natural Product Mixtures

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Effects of Long-Term Storage on the Biobanked Neonatal Dried Blood Spot Metabolome

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A zebrafish model to elucidate the impact of host genes on the microbiota

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Deciphering the chemical and therapeutic potential of Salvia species against COVID-19: An LC-MS-based metabolomics and network pharmacology study

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Metabolomics and Molecular Networking to Characterize the Chemical Space of Four Momordica Plant Species

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Mass Difference Matching Unfolds Hidden Molecular Structures of Dissolved Organic Matter

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Host–gut microbiota interactions shape parasite infections in farmed Atlantic salmon

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Comprehensive Large-Scale Integrative Analysis of Omics Data To Accelerate Specialized Metabolite Discovery

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New Advanced Glycation End Products Observed in Rat Urine by Untargeted Metabolomics after Feeding with Heat‐Treated Skimmed Milk Powder

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New advances in mass spectrometry data-based computational metabolomics methods

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Metabolic Signatures of the Exposome—Quantifying the Impact of Exposure to Environmental Chemicals on Human Health

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A multi-omics approach unravels metagenomic and metabolic alterations of a probiotic and synbiotic additive in rainbow trout (Oncorhynchus mykiss)

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Metabolomic characterization of wild and cultivated Hericium erinaceus reveals functional component retention relevant to food processing and quality control

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NMR as a tool for compound identification in mixtures

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Rapid recognition and targeted isolation of potential anti‐breast cancer xanthones in Hypericum bellum Li by “seed” mass spectra‐based molecular networking and in silico MS/MS fragmentation

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Molecular networking: An efficient tool for discovering and identifying natural products

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Journal of Pharmaceutical and Biomedical Analysis, 2025, 259, 116741
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When Metabolomics Meets Quantitative Genetics: An Integrative Strategy to Elucidate Plant Resistance Mechanisms

Romane Lapous, Komla Exonam Amegan, Bernard Caromel, Charles‐Eric Durel, Anne‐Violette Lavoir, Julie Ferreira de Carvalho and Romain Larbat

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Review: Metabolomics as a prediction tool for plants performance under environmental stress

Aitor Villate, Markel San Nicolas, Mara Gallastegi, Pierre-Antoine Aulas, Maitane Olivares, Aresatz Usobiaga, Nestor Etxebarria and Oier Aizpurua-Olaizola

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A holo-omics analysis shows how sugar kelp can boost gut health in Atlantic salmon

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Metabolome informs about the chemical exposome and links to brain health

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Assessing specialized metabolite diversity of Alnus species by a digitized LC–MS/MS data analysis workflow

Kyo Bin Kang, Sunmin Woo, Madeleine Ernst, Justin J.J. van der Hooft, Louis-Félix Nothias, Ricardo R. da Silva, Pieter C. Dorrestein, Sang Hyun Sung and Mina Lee

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Biological Assay-Guided Fractionation and Mass Spectrometry-Based Metabolite Profiling of Annona muricata L. Cytotoxic Compounds against Lung Cancer A549 Cell Line

Edcyl Lee O. Salac, Michael Russelle Alvarez, Rnie Shayne Gaurana, Sheryl Joyce B. Grijaldo, Luster Mae Serrano, Florence de Juan, Rowell Abogado, Isagani Padolina Jr., Froila Marie Deniega, Kimberly Delica, Kimberly Fernandez, Carlito B. Lebrilla, Marlon N. Manalo, Francisco M. Heralde III, Gladys Cherisse J. Completo and Ruel C. Nacario

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Machine Learning Applications for Mass Spectrometry-Based Metabolomics

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Metabolites, 2020, 10, 243
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Integrating MassQL and Molecular Networking to Identify Bioactive Compounds in Idesia polycarpa Maxim

Bo-Yeong Yu, Kyu Hyeong Lee, Myeong Ji Kim, Jingxuan Wen, Young-Sam Keum and Hyunwoo Kim

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mineMS2: annotation of spectral libraries with exact fragmentation patterns

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J Cheminform, 2025, 17
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Charting the Cannabis plant chemical space with computational metabolomics

Akhona Myoli, Mpho Choene, Abidemi Paul Kappo, Ntakadzeni Edwin Madala, Justin J. J. van der Hooft and Fidele Tugizimana

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