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METLIN: A Technology Platform for Identifying Knowns and Unknowns

Analytical chemistry (Washington), 2018-03, Vol.90 (5), p.3156-3164

2018

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The METLIN small molecule dataset for machine learning-based retention time prediction

Nature communications, 2019-12, Vol.10 (1), p.5811-9, Article 5811

2019

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Annotation: A Computational Solution for Streamlining Metabolomics Analysis

Analytical chemistry (Washington), 2018-01, Vol.90 (1), p.480-489

2018

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Autonomous METLIN-Guided In-source Fragment Annotation for Untargeted Metabolomics

Analytical chemistry (Washington), 2019-03, Vol.91 (5), p.3246-3253

2019

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eRah: A Computational Tool Integrating Spectral Deconvolution and Alignment with Quantification and Identification of Metabolites in GC/MS-Based Metabolomics

Analytical chemistry (Washington), 2016-10, Vol.88 (19), p.9821-9829

2016

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XCMS-MRM and METLIN-MRM: a cloud library and public resource for targeted analysis of small molecules

Nature methods, 2018-09, Vol.15 (9), p.681-684

2018

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Avoiding hard chromatographic segmentation: A moving window approach for the automated resolution of gas chromatography–mass spectrometry-based metabolomics signals by multivariate methods

Journal of Chromatography A, 2016-11, Vol.1474, p.145-151

2016

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Accelerated lysine metabolism conveys kidney protection in salt-sensitive hypertension

Nature communications, 2022-07, Vol.13 (1), p.4099-4099, Article 4099

2022

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Metabolic adaptation to calorie restriction

Science signaling, 2020-09, Vol.13 (648)

2020

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Compound identification in gas chromatography/mass spectrometry-based metabolomics by blind source separation

Journal of Chromatography A, 2015-08, Vol.1409, p.226-233

2015

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Charting the metabolic biogeography of the colorectum in cancer: challenging the right sided versus left sided classification

Molecular cancer, 2024-09, Vol.23 (1), p.211-9, Article 211

2024

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Impact of Western Diet on Enterohemorrhagic Escherichia coli Colonization in the Human In Vitro Mucosal Artificial Colon as Mediated by Gut Microbiota

Nutrients, 2024-06, Vol.16 (13), p.2046

2024

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Machine Learning-Based Retention Time Prediction of Trimethylsilyl Derivatives of Metabolites

Biomedicines, 2022-04, Vol.10 (4), p.879

2022

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Automated resolution of chromatographic signals by independent component analysis - orthogonal signal deconvolution in comprehensive gas chromatography/mass spectrometry-based metabolomics

Computer methods and programs in biomedicine, 2016-07, Vol.130, p.135-141

2016

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Microbial Metabolite 3-Indolepropionic Acid Mediates Immunosuppression

Metabolites, 2022-07, Vol.12 (7), p.645

2022

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Drug-Initiated Activity Metabolomics Identifies Myristoylglycine as a Potent Endogenous Metabolite for Human Brown Fat Differentiation

Metabolites, 2022-08, Vol.12 (8), p.749

2022

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Metabolomics Data Processing Using XCMS

Methods in molecular biology (Clifton, N.J.), 2020-01, Vol.2104, p.11

2020

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Autonomous Multimodal Metabolomics Data Integration for Comprehensive Pathway Analysis and Systems Biology

Analytical chemistry (Washington), 2018-07, Vol.90 (14), p.8396-8403

2018

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Enhanced in-Source Fragmentation Annotation Enables Novel Data Independent Acquisition and Autonomous METLIN Molecular Identification

Analytical chemistry (Washington), 2020-04, Vol.92 (8), p.6051-6059

2020

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Metabolic rewiring of the hypertensive kidney

Science signaling, 2019-12, Vol.12 (611)

2019

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Predicting the Predicted: A Comparison of Machine Learning-Based Collision Cross-Section Prediction Models for Small Molecules

Analytical chemistry (Washington), 2024-06, Vol.96 (22), p.9088-9096

2024

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Exposome-Scale Investigations Guided by Global Metabolomics, Pathway Analysis, and Cognitive Computing

Analytical chemistry (Washington), 2017-11, Vol.89 (21), p.11505-11513

2017

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Metabolomics activity screening of T cell-induced colitis reveals anti-inflammatory metabolites

Science signaling, 2021-09, Vol.14 (702), p.eabf6584

2021

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Computational Expansion of High-Resolution-MSn Spectral Libraries

Analytical chemistry (Washington), 2023-11, Vol.95 (47), p.17284-17291

2023

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Computational Expansion of High-Resolution-MS n Spectral Libraries

Analytical chemistry (Washington), 2023-11, Vol.95 (47), p.17284-17291

2023

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METLIN: A Technology Platform for Identifying Knowns and Unknowns

The METLIN small molecule dataset for machine learning-based retention time prediction

Annotation: A Computational Solution for Streamlining Metabolomics Analysis

Autonomous METLIN-Guided In-source Fragment Annotation for Untargeted Metabolomics

eRah: A Computational Tool Integrating Spectral Deconvolution and Alignment with Quantification and Identification of Metabolites in GC/MS-Based Metabolomics

XCMS-MRM and METLIN-MRM: a cloud library and public resource for targeted analysis of small molecules

Avoiding hard chromatographic segmentation: A moving window approach for the automated resolution of gas chromatography–mass spectrometry-based metabolomics signals by multivariate methods

Accelerated lysine metabolism conveys kidney protection in salt-sensitive hypertension

Metabolic adaptation to calorie restriction

Compound identification in gas chromatography/mass spectrometry-based metabolomics by blind source separation

Charting the metabolic biogeography of the colorectum in cancer: challenging the right sided versus left sided classification

Impact of Western Diet on Enterohemorrhagic Escherichia coli Colonization in the Human In Vitro Mucosal Artificial Colon as Mediated by Gut Microbiota

Machine Learning-Based Retention Time Prediction of Trimethylsilyl Derivatives of Metabolites

Automated resolution of chromatographic signals by independent component analysis - orthogonal signal deconvolution in comprehensive gas chromatography/mass spectrometry-based metabolomics

Microbial Metabolite 3-Indolepropionic Acid Mediates Immunosuppression

Drug-Initiated Activity Metabolomics Identifies Myristoylglycine as a Potent Endogenous Metabolite for Human Brown Fat Differentiation

Metabolomics Data Processing Using XCMS

Autonomous Multimodal Metabolomics Data Integration for Comprehensive Pathway Analysis and Systems Biology

Enhanced in-Source Fragmentation Annotation Enables Novel Data Independent Acquisition and Autonomous METLIN Molecular Identification

Metabolic rewiring of the hypertensive kidney

Predicting the Predicted: A Comparison of Machine Learning-Based Collision Cross-Section Prediction Models for Small Molecules

Exposome-Scale Investigations Guided by Global Metabolomics, Pathway Analysis, and Cognitive Computing

Metabolomics activity screening of T cell-induced colitis reveals anti-inflammatory metabolites

Computational Expansion of High-Resolution-MSn Spectral Libraries

Computational Expansion of High-Resolution-MS n Spectral Libraries

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