Metabolomic approaches to explore chemodiversity in seeds of guaraná (Paullinia cupana) using UPLC-QTOF-MSE and NMR analysis

Tamyris de Aquino Gondim, Jhonyson Arruda Carvalho Guedes, Elenilson de Godoy Alves Filho, Gisele Silvestre da Silva, Natasha Veruska dos Santos Nina, Firmino José do Nascimento Filho, André Luiz Atroch, Gilvan Ferreira Da Silva, Gisele Simone Lopes and Guilherme Julião Zocolo

Anal. Methods, 2024, 16, 1158
DOI: 10.1039/D3AY01737K

Classification of samples from NMR-based metabolomics using principal components analysis and partial least squares with uncertainty estimation

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Anal Bioanal Chem, 2018, 410, 6305
DOI: 10.1007/s00216-018-1240-2

Quality control, classification, and authentication of Iranian rice varieties using FT-IR spectroscopy and sparse chemometric methods

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Journal of Food Composition and Analysis, 2022, 112, 104650
DOI: 10.1016/j.jfca.2022.104650

Chemometrics in instrumental analysis of complex systems—in honor and memory of Yi‐Zeng Liang

Zhimin Zhang, Hongdong Li, Yonghuan Yun, Pan Ma, Lunzhao Yi, Dabing Ren, Liangxiao Zhang, Jun Yan, Naiping Dong, Baichuan Deng and Hongmei Lu

Journal of Chemometrics, 2018, 32
DOI: 10.1002/cem.3095

Signal pattern plot: a simple tool for time-dependent metabolomics studies by 1H NMR spectroscopy

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Anal Bioanal Chem, 2019, 411, 6857
DOI: 10.1007/s00216-019-02055-y

Excitation-emission fluorescence spectroscopy and sparse chemometric methods for grape seed oil classification and authentication

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Chemometrics and Intelligent Laboratory Systems, 2023, 241, 104939
DOI: 10.1016/j.chemolab.2023.104939

Stable biomarker screening and classification by subsampling-based sparse regularization coupled with support vector machines in metabolomics

Guang-Hui Fu, Bing-Yang Zhang, He-Dan Kou and Lun-Zhao Yi

Chemometrics and Intelligent Laboratory Systems, 2017, 160, 22
DOI: 10.1016/j.chemolab.2016.11.006

Stable variable selection of class-imbalanced data with precision-recall criterion

Guang-Hui Fu, Feng Xu, Bing-Yang Zhang and Lun-Zhao Yi

Chemometrics and Intelligent Laboratory Systems, 2017, 171, 241
DOI: 10.1016/j.chemolab.2017.10.015

Chemometric methods in data processing of mass spectrometry-based metabolomics: A review

Lunzhao Yi, Naiping Dong, Yonghuan Yun, Baichuan Deng, Dabing Ren, Shao Liu and Yizeng Liang

Analytica Chimica Acta, 2016, 914, 17
DOI: 10.1016/j.aca.2016.02.001

Advances in metabolome information retrieval: turning chemistry into biology. Part II: biological information recovery

Abdellah Tebani, Carlos Afonso and Soumeya Bekri

J of Inher Metab Disea, 2018, 41, 393
DOI: 10.1007/s10545-017-0080-0

Operationalizing the Exposome Using Passive Silicone Samplers

Zoe Coates Fuentes, Yuri Levin Schwartz, Anna R. Robuck and Douglas I. Walker

Curr Pollution Rep, 2022, 8, 1
DOI: 10.1007/s40726-021-00211-6