Kernel k-nearest neighbor classifier based on decision tree ensemble for SAR modeling analysis

Xin Huang, Qing-Song Xu, Dong-Sheng Cao, Yi-Ping Luo and Yi-Zeng Liang

Anal. Methods, 2014, 6, 6621
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Modern analytical techniques in metabolomics analysis

Aihua Zhang, Hui Sun, Ping Wang, Ying Han and Xijun Wang

Analyst, 2012, 137, 293
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Serum Metabolites Characterization Produced by Cats CKD Affected, at the 1 and 2 Stages, before and after Renal Diet

Bruna Ruberti, Daniela Pedrosa Machado, Thiago Henrique Annibale Vendramini, Vivian Pedrinelli, Pedro Henrique Marchi, Juliana Toloi Jeremias, Cristiana Fonseca Ferreira Pontieri, Marcia Mery Kogika and Marcio Antonio Brunetto

Metabolites, 2022, 13, 43
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A novel kernel Fisher discriminant analysis: Constructing informative kernel by decision tree ensemble for metabolomics data analysis

Dong-Sheng Cao, Mao-Mao Zeng, Lun-Zhao Yi, Bing Wang, Qing-Song Xu, Qian-Nan Hu, Liang-Xiao Zhang, Hong-Mei Lu and Yi-Zeng Liang

Analytica Chimica Acta, 2011, 706, 97
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NMR and pattern recognition methods in metabolomics: From data acquisition to biomarker discovery: A review

Agnieszka Smolinska, Lionel Blanchet, Lutgarde M.C. Buydens and Sybren S. Wijmenga

Analytica Chimica Acta, 2012, 750, 82
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Nutrimetabolomics: An Integrative Action for Metabolomic Analyses in Human Nutritional Studies

Marynka M. Ulaszewska, Christoph H. Weinert, Alessia Trimigno, Reto Portmann, Cristina Andres Lacueva, René Badertscher, Lorraine Brennan, Carl Brunius, Achim Bub, Francesco Capozzi, Marta Cialiè Rosso, Chiara E. Cordero, Hannelore Daniel, Stéphanie Durand, Bjoern Egert, Paola G. Ferrario, Edith J.M. Feskens, Pietro Franceschi, Mar Garcia‐Aloy, Franck Giacomoni, Pieter Giesbertz, Raúl González‐Domínguez, Kati Hanhineva, Lieselot Y. Hemeryck, Joachim Kopka, Sabine E. Kulling, Rafael Llorach, Claudine Manach, Fulvio Mattivi, Carole Migné, Linda H. Münger, Beate Ott, Gianfranco Picone, Grégory Pimentel, Estelle Pujos‐Guillot, Samantha Riccadonna, Manuela J. Rist, Caroline Rombouts, Josep Rubert, Thomas Skurk, Pedapati S. C. Sri Harsha, Lieven Van Meulebroek, Lynn Vanhaecke, Rosa Vázquez‐Fresno, David Wishart and Guy Vergères

Molecular Nutrition Food Res, 2019, 63
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A novel tree kernel partial least squares for modeling the structure–activity relationship

Xin Huang, Dong‐Sheng Cao, Qing‐Song Xu and Yi‐Zeng Liang

Journal of Chemometrics, 2013, 27, 43
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Metabolomics and metabolites in ischemic stroke

Maria S. Chumachenko, Tatsiana V. Waseem and Sergei V. Fedorovich

Reviews in the Neurosciences, 2022, 33, 181
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Detection and Identification of Extra Virgin Olive Oil Adulteration by GC-MS Combined with Chemometrics

Yang Yang, Miguel Duarte Ferro, Isabel Cavaco and Yizeng Liang

J. Agric. Food Chem., 2013, 61, 3693
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A novel tree kernel support vector machine classifier for modeling the relationship between bioactivity and molecular descriptors

Xin Huang, Dong-Sheng Cao, Qing-Song Xu, Liang Shen, Jian-Hua Huang and Yi-Zeng Liang

Chemometrics and Intelligent Laboratory Systems, 2013, 120, 71
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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
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Human Plasma Metabolic Profiles of Coronary Heart Disease by Gas Chromatography-Mass Spectrometry with Monte Carlo Tree Approach

Jidong Xia, Lunzhao Yi, Nian Liu, Xing Wei, Dongsheng Cao, Hongdong Li, Wei Fan, Wan Zhang, Dongsheng Wang and Yizeng Liang

Analytical Letters, 2012, 45, 2185
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QSPR study for prediction of boiling points of 2475 organic compounds using stochastic gradient boosting

Jue‐hong Zhang, Zai‐ming Liu and Wan‐rong Liu

Journal of Chemometrics, 2014, 28, 161
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Sparse canonical correlation analysis applied to ‐omics studies for integrative analysis and biomarker discovery

Dong‐Sheng Cao, Shao Liu, Wen‐Bin Zeng and Yi‐Zeng Liang

Journal of Chemometrics, 2015, 29, 371
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Weighted variable kernel support vector machine classifier for metabolomics data analysis

Xin Huang, Qing-Song Xu, Yong-Huan Yun, Jian-Hua Huang and Yi-Zeng Liang

Chemometrics and Intelligent Laboratory Systems, 2015, 146, 365
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Incorporating PLS model information into particle swarm optimization for descriptor selection in QSAR/QSPR

Yong Wang, Jing‐Jing Huang, Neng Zhou, Dong‐Sheng Cao, Jie Dong and Han‐Xiong Li

Journal of Chemometrics, 2015, 29, 627
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Tree-based ensemble methods and their applications in analytical chemistry

Dong-Sheng Cao, Jian-Hua Huang, Yi-Zeng Liang, Qing-Song Xu and Liang-Xiao Zhang

TrAC Trends in Analytical Chemistry, 2012, 40, 158
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