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32,144 Results Found

  • Feature Paper
  • Review
  • Open Access
3 Citations
3,455 Views
29 Pages

19 October 2023

Methodologies for the synthesis and purification of metabolites, which have been developed following their discovery, analysis, and structural identification, have been involved in numerous life science milestones. The renewed focus on the small mole...

  • Review
  • Open Access
40 Citations
10,931 Views
8 Pages

Metabolomics for Secondary Metabolite Research

  • Rainer Breitling,
  • Ana Ceniceros,
  • Andris Jankevics and
  • Eriko Takano

11 November 2013

Metabolomics, the global characterization of metabolite profiles, is becoming an increasingly powerful tool for research on secondary metabolite discovery and production. In this review we discuss examples of recent technological advances and biologi...

  • Review
  • Open Access
36 Citations
5,580 Views
18 Pages

Metabolite Transporters as Regulators of Immunity

  • Hauke J. Weiss and
  • Stefano Angiari

19 October 2020

In the past decade, the rise of immunometabolism has fundamentally reshaped the face of immunology. As the functions and properties of many (immuno)metabolites have now been well described, their exchange among cells and their environment have only r...

  • Review
  • Open Access
16 Citations
6,273 Views
21 Pages

The Knowns and Unknowns in Protein–Metabolite Interactions

  • Ilya Kurbatov,
  • Georgii Dolgalev,
  • Viktoriia Arzumanian,
  • Olga Kiseleva and
  • Ekaterina Poverennaya

19 February 2023

Increasing attention has been focused on the study of protein–metabolite interactions (PMI), which play a key role in regulating protein functions and directing an orchestra of cellular processes. The investigation of PMIs is complicated by the...

  • Article
  • Open Access
1 Citations
3,590 Views
11 Pages

Due to the complex features of metabolomics data, the development of a unified platform, which covers preprocessing steps to data analysis, has been in high demand over the last few decades. Thus, we developed a new bioinformatics tool that includes...

  • Article
  • Open Access
5 Citations
2,304 Views
19 Pages

A major limitation of most metabolomics datasets is the sparsity of pathway annotations for detected metabolites. It is common for less than half of the identified metabolites in these datasets to have a known metabolic pathway involvement. Trying to...

  • Article
  • Open Access
2 Citations
2,604 Views
13 Pages

Pharmacokinetic Study and Metabolite Identification of 1-(3′-bromophenyl)-heliamine in Rats

  • Ruqi Xi,
  • Rahima Abdulla,
  • Miaomiao Zhang,
  • Zhurakulov Sherzod,
  • Vinogradova Valentina Ivanovna,
  • Maidina Habasi and
  • Yongqiang Liu

29 November 2022

Tetrahydroisoquinolines have been widely investigated for the treatment of arrhythmias. 1−(3′−bromophenyl)−heliamine (BH), an anti−arrhythmias agent, is a synthetic tetrahydroisoquinoline. This study focuses on the pharm...

  • Review
  • Open Access
6 Citations
1,957 Views
19 Pages

The Mitochondrial Blueprint: Unlocking Secondary Metabolite Production

  • Yang Li,
  • Yujia Zhang,
  • Xinyu He,
  • Ziyi Guo,
  • Ning Yang,
  • Guohui Bai,
  • Juanjuan Zhao and
  • Delin Xu

18 December 2024

Mitochondrial metabolism plays a pivotal role in regulating the synthesis of secondary metabolites, which are crucial for the survival and adaptation of organisms. These metabolites are synthesized during specific growth stages or in response to envi...

  • Article
  • Open Access
15 Citations
4,685 Views
15 Pages

Ranking Metabolite Sets by Their Activity Levels

  • Karen McLuskey,
  • Joe Wandy,
  • Isabel Vincent,
  • Justin J. J. van der Hooft,
  • Simon Rogers,
  • Karl Burgess and
  • Rónán Daly

11 February 2021

Related metabolites can be grouped into sets in many ways, e.g., by their participation in series of chemical reactions (forming metabolic pathways), or based on fragmentation spectral similarities or shared chemical substructures. Understanding how...

  • Article
  • Open Access
5 Citations
3,246 Views
15 Pages

9 March 2023

Ginseng, a kind of functional food and medicine with high nutritional value, contains various pharmacological metabolites that influence human metabolic functions. Therefore, it is very important to analyze the composition and metabolites of ginseng....

  • Article
  • Open Access
3,613 Views
10 Pages

MetaboVariation: Exploring Individual Variation in Metabolite Levels

  • Shubbham Gupta,
  • Isobel Claire Gormley and
  • Lorraine Brennan

23 January 2023

To date, most metabolomics biomarker research has focused on identifying disease biomarkers. However, there is a need for biomarkers of early metabolic dysfunction to identify individuals who would benefit from lifestyle interventions. Concomitantly,...

  • Article
  • Open Access
1 Citations
1,983 Views
26 Pages

28 January 2025

Background: The human gut microbiome is critical for host health by facilitating essential metabolic processes. Our study presents a data-driven analysis across 312 bacterial species and 154 unique metabolites to enhance the understanding of underlyi...

  • Article
  • Open Access
7 Citations
4,223 Views
15 Pages

13 April 2021

Plant roots are composed of many differentiated tissue types, with each tissue exhibiting differential quantitative and qualitative accumulation of metabolites. The large-scale nontargeted metabolite profiles of these differentiated tissues are compl...

  • Article
  • Open Access
55 Citations
14,364 Views
14 Pages

21 April 2009

The mycoestrogen zearalenone (ZEN), as well as its reduced metabolites, which belong to the endocrine disruptor bio-molecule family, are substrates for various enzymes involved in steroid metabolism. In addition to its reduction by the steroid dehydr...

  • Article
  • Open Access
1 Citations
1,819 Views
19 Pages

Metabolite Profiling and Antioxidant Activities in Seagrass Biomass

  • Pilar Garcia-Jimenez,
  • Milagros Rico,
  • Diana del Rosario-Santana,
  • Vicent Arbona,
  • Marina Carrasco-Acosta and
  • David Osca

29 April 2025

In this work, metabolite profiling of seeds and antioxidant analysis of fragments of two marine seagrasses, Posidonia oceanica and Cymodocea nodosa, were carried out to identify metabolite signature involved in seed viability and to evaluate the pote...

  • Feature Paper
  • Review
  • Open Access
51 Citations
6,939 Views
27 Pages

Oncobiosis and Microbial Metabolite Signaling in Pancreatic Adenocarcinoma

  • Borbála Kiss,
  • Edit Mikó,
  • Éva Sebő,
  • Judit Toth,
  • Gyula Ujlaki,
  • Judit Szabó,
  • Karen Uray,
  • Péter Bai and
  • Péter Árkosy

25 April 2020

Pancreatic adenocarcinoma is one of the most lethal cancers in both men and women, with a median five-year survival of around 5%. Therefore, pancreatic adenocarcinoma represents an unmet medical need. Neoplastic diseases, such as pancreatic adenocarc...

  • Review
  • Open Access
1,534 Views
67 Pages

Differentiation of Therapeutic and Illicit Drug Use via Metabolite Profiling

  • Stanila Stoeva-Grigorova,
  • Nadezhda Hvarchanova,
  • Silvia Gancheva,
  • Miroslav Eftimov,
  • Kaloyan D. Georgiev and
  • Maya Radeva-Ilieva

17 November 2025

Objectives: The therapeutic use of controlled substances, particularly opioids, stimulants, and benzodiazepines, has significantly increased in recent decades. This is often accompanied by non-medical use and diversion, posing challenges for healthca...

  • Review
  • Open Access
39 Citations
5,676 Views
17 Pages

Nanotechnology in Plant Metabolite Improvement and in Animal Welfare

  • Maulidia Rahmawati,
  • Choirul Mahfud,
  • Gianfranco Risuleo and
  • Nurul Jadid

14 January 2022

Plant tissue culture plays an important role in plant biotechnology due to its potential for massive production of improved crop varieties and high yield of important secondary metabolites. Several efforts have been made to ameliorate the effectivene...

  • Article
  • Open Access
22 Citations
4,572 Views
12 Pages

Metabolite Profiling and Classification of Developing Styrax tonkinensis Kernels

  • Qikui Wu,
  • Xue Zhao,
  • Chen Chen,
  • Zihan Zhang and
  • Fangyuan Yu

1 January 2020

Background: Styrax tonkinensis is an economic tree species with high timber, medicine, oil, and ornamental value. Its seed, containing a particularly high oil content, are widely studied for their biodiesel properties by nutritional components and oi...

  • Article
  • Open Access
16 Citations
3,841 Views
13 Pages

Metabolite Analysis of Lettuce in Response to Sulfur Nutrition

  • Jung-Sung Chung,
  • Hyeong-Cheol Kim,
  • Su-Min Yun,
  • Hyun-Jin Kim,
  • Cheol-Soo Kim and
  • Jeung-Joo Lee

Sulfur is an essential nutrient required for plant growth and metabolism, and plays an important role in relieving stress. Nutrient deficiency is one of the main factors that negatively affect crop growth, quality, and yield. This study aimed to eval...

  • Article
  • Open Access
49 Citations
14,287 Views
18 Pages

Using Molecular Networking for Microbial Secondary Metabolite Bioprospecting

  • Kevin Purves,
  • Lynsey Macintyre,
  • Debra Brennan,
  • Guðmundur Ó. Hreggviðsson,
  • Eva Kuttner,
  • Margrét E. Ásgeirsdóttir,
  • Louise C. Young,
  • David H. Green,
  • Ruangelie Edrada-Ebel and
  • Katherine R. Duncan

The oceans represent an understudied resource for the isolation of bacteria with the potential to produce novel secondary metabolites. In particular, actinomyces are well known to produce chemically diverse metabolites with a wide range of biological...

  • Article
  • Open Access
11 Citations
5,550 Views
16 Pages

Chemical Chaperones Modulate the Formation of Metabolite Assemblies

  • Hanaa Adsi,
  • Shon A. Levkovich,
  • Elvira Haimov,
  • Topaz Kreiser,
  • Massimiliano Meli,
  • Hamutal Engel,
  • Luba Simhaev,
  • Shai Karidi-Heller,
  • Giorgio Colombo and
  • Dana Laor Bar-Yosef

25 August 2021

The formation of amyloid-like structures by metabolites is associated with several inborn errors of metabolism (IEMs). These structures display most of the biological, chemical and physical properties of protein amyloids. However, the molecular inter...

  • Article
  • Open Access
11 Citations
4,596 Views
24 Pages

Gene-Metabolite Network Analysis Revealed Tissue-Specific Accumulation of Therapeutic Metabolites in Mallotus japonicus

  • Megha Rai,
  • Amit Rai,
  • Tetsuya Mori,
  • Ryo Nakabayashi,
  • Manami Yamamoto,
  • Michimi Nakamura,
  • Hideyuki Suzuki,
  • Kazuki Saito and
  • Mami Yamazaki

17 August 2021

Mallotus japonicus is a valuable traditional medicinal plant in East Asia for applications as a gastrointestinal drug. However, the molecular components involved in the biosynthesis of bioactive metabolites have not yet been explored, primarily due t...

  • Article
  • Open Access
314 Views
14 Pages

Metabolic Profiling and Functional Metabolite Distribution in Colored Tomatoes

  • Ao Su,
  • Chunxin Liu,
  • Yurong Yang,
  • Xudong Wang,
  • Chengyu Wu,
  • Dalong Li,
  • He Zhang,
  • Dong Liu,
  • Xiangyang Xu and
  • Tingting Zhao

25 November 2025

Tomato (Solanum lycopersicum L.) is valued for its versatile consumption and rich nutrients. Current research on functional metabolite distribution in tomatoes mostly focuses on a few varieties, limiting comprehensive understanding across different c...

  • Article
  • Open Access
20 Citations
4,606 Views
14 Pages

Extending the Metabolite Diversity of the Endophyte Dimorphosporicola tragani

  • Victor González-Menéndez,
  • Gloria Crespo,
  • Clara Toro,
  • Jesús Martín,
  • Nuria de Pedro,
  • Jose R Tormo and
  • Olga Genilloud

21 September 2019

Fungi are one of the most prolific sources of microbial secondary metabolites. The production of new metabolites can be achieved using multiple fermentation conditions and by adding small-molecule effectors, including epigenetic modifiers. In the fra...

  • Article
  • Open Access
10 Citations
3,114 Views
16 Pages

Formononetin is a major isoflavone contained in propolis and is reported to exhibit various pharmacological effects. However, the use of formononetin in pharmaceutical industry is limited due to its low bioavailability and solubility. There had been...

  • Article
  • Open Access
6 Citations
6,425 Views
16 Pages

Evaluation of Lidocaine and Metabolite Pharmacokinetics in Hyaluronic Acid Injection

  • Ju Hee Kim,
  • Dong Wook Kang,
  • Go-Wun Choi,
  • Sang Bok Lee,
  • Seongjin Lee and
  • Hea-Young Cho

Lidocaine-incorporated hyaluronic acid injection (LHA) is considered a promising way to increase patient compliance. Various reviews and analyses have been conducted to verify that the addition of lidocaine had no effect on the product quality of hya...

  • Review
  • Open Access
73 Citations
12,882 Views
23 Pages

14 May 2019

Increasing evidence has indicated that diet and metabolites, including bacteria- and host-derived metabolites, orchestrate host pathophysiology by regulating metabolism, immune system and inflammation. Indeed, autoimmune diseases such as inflammatory...

  • Article
  • Open Access
2 Citations
2,234 Views
12 Pages

Maternal and Cord Blood Serum Metabolite Associations with Childhood Adiposity and Body Composition Outcomes

  • Monica E. Bianco,
  • My H. Vu,
  • James R. Bain,
  • Michael J. Muehlbauer,
  • Olga R. Ilkayeva,
  • Denise M. Scholtens,
  • Jami Josefson and
  • William L. Lowe

Maternal metabolites influence the size of newborns independently of maternal body mass index (BMI) and glycemia, highlighting the importance of maternal metabolism on offspring outcomes. This study examined associations of maternal metabolites durin...

  • Article
  • Open Access
14 Citations
2,992 Views
11 Pages

Metabolite Signature of Simvastatin Treatment Involves Multiple Metabolic Pathways

  • Lilian Fernandes Silva,
  • Rowmika Ravi,
  • Jagadish Vangipurapu and
  • Markku Laakso

16 August 2022

Statins inhibit the 3-hydroxy-3-methylglutaryl-CoA reductase enzyme and are the most widely used medication for hypercholesterolemia. Previous studies on the metabolite signature of simvastatin treatment have included only a small number of metabolit...

  • Review
  • Open Access
32 Citations
6,632 Views
20 Pages

Biotechnology and In Vitro Culture as an Alternative System for Secondary Metabolite Production

  • Marouane Mohaddab,
  • Younes El Goumi,
  • Monica Gallo,
  • Domenico Montesano,
  • Gokhan Zengin,
  • Abdelhakim Bouyahya and
  • Malika Fakiri

21 November 2022

Medicinal plants are rich sources of bioactive compounds widely used as medicaments, food additives, perfumes, and agrochemicals. These secondary compounds are produced under stress conditions to carry out physiological tasks in plants. Secondary met...

  • Review
  • Open Access
3 Citations
1,641 Views
29 Pages

Microbial Metabolite Effects on Vasculogenic Mimicry in Metastatic Cancers

  • Mohammad Kamalabadi Farahani,
  • Aisa Bahar,
  • Hamed Tahmasebi,
  • Valentyn Oksenych and
  • Mojdeh Jahantigh

30 May 2025

Aggressive cancer cells can form new, functional blood vessel-like structures independently of endothelial cells, known as vasculogenic mimicry (VM), instead of the usual tumor blood vessel formation process. However, the symbiotic relationship betwe...

  • Article
  • Open Access
8 Citations
3,565 Views
12 Pages

Isolated Effects of Plasma Freezing versus Thawing on Metabolite Stability

  • Jane L. Buchanan,
  • Jovan Tormes Vaquerano and
  • Eric B. Taylor

11 November 2022

Freezing and thawing plasma samples is known to perturb metabolite stability. However, no study has systematically tested how different freezing and thawing methods affect plasma metabolite levels. The objective of this study was to isolate the effec...

  • Feature Paper
  • Article
  • Open Access
7 Citations
2,614 Views
15 Pages

Fetal Exposure to Maternal Smoking and Neonatal Metabolite Profiles

  • Kim N. Cajachagua-Torres,
  • Sophia M. Blaauwendraad,
  • Hanan El Marroun,
  • Hans Demmelmair,
  • Berthold Koletzko,
  • Romy Gaillard and
  • Vincent W. V. Jaddoe

11 November 2022

Fetal tobacco exposure has persistent effects on growth and metabolism. The underlying mechanisms of these relationships are yet unknown. We investigated the associations of fetal exposure to maternal smoking with neonatal metabolite profiles. In a p...

  • Review
  • Open Access
38 Citations
6,961 Views
13 Pages

Biogenesis of Mitochondrial Metabolite Carriers

  • Patrick Horten,
  • Lilia Colina-Tenorio and
  • Heike Rampelt

7 July 2020

Metabolite carriers of the mitochondrial inner membrane are crucial for cellular physiology since mitochondria contribute essential metabolic reactions and synthesize the majority of the cellular ATP. Like almost all mitochondrial proteins, carriers...

  • Review
  • Open Access
24 Citations
4,593 Views
21 Pages

A Metabolite Perspective on the Involvement of the Gut Microbiota in Type 2 Diabetes

  • Yifeng Fu,
  • Siying Li,
  • Yunhua Xiao,
  • Gang Liu and
  • Jun Fang

8 October 2023

Type 2 diabetes (T2D) is a commonly diagnosed condition that has been extensively studied. The composition and activity of gut microbes, as well as the metabolites they produce (such as short-chain fatty acids, lipopolysaccharides, trimethylamine N-o...

  • Article
  • Open Access
84 Citations
10,394 Views
13 Pages

A Novel Fungal Metabolite with Beneficial Properties for Agricultural Applications

  • Francesco Vinale,
  • Gelsomina Manganiello,
  • Marco Nigro,
  • Pierluigi Mazzei,
  • Alessandro Piccolo,
  • Alberto Pascale,
  • Michelina Ruocco,
  • Roberta Marra,
  • Nadia Lombardi and
  • Sheridan L. Woo
  • + 3 authors

8 July 2014

Trichoderma are ubiquitous soil fungi that include species widely used as biocontrol agents in agriculture. Many isolates are known to secrete several secondary metabolites with different biological activities towards plants and other microbes. Harzi...

  • Review
  • Open Access
25 Citations
7,049 Views
29 Pages

Metabolomics-Driven Mining of Metabolite Resources: Applications and Prospects for Improving Vegetable Crops

  • Dhananjaya Pratap Singh,
  • Mansi Singh Bisen,
  • Renu Shukla,
  • Ratna Prabha,
  • Sudarshan Maurya,
  • Yesaru S. Reddy,
  • Prabhakar Mohan Singh,
  • Nagendra Rai,
  • Tribhuvan Chaubey and
  • Tusar Kanti Behera
  • + 5 authors

11 October 2022

Vegetable crops possess a prominent nutri-metabolite pool that not only contributes to the crop performance in the fields, but also offers nutritional security for humans. In the pursuit of identifying, quantifying and functionally characterizing the...

  • Review
  • Open Access
123 Citations
14,895 Views
18 Pages

Biomarker Research in Parkinson’s Disease Using Metabolite Profiling

  • Jesper F. Havelund,
  • Niels H. H. Heegaard,
  • Nils J. K. Færgeman and
  • Jan Bert Gramsbergen

11 August 2017

Biomarker research in Parkinson’s disease (PD) has long been dominated by measuring dopamine metabolites or alpha-synuclein in cerebrospinal fluid. However, these markers do not allow early detection, precise prognosis or monitoring of disease progre...

  • Article
  • Open Access
27 Citations
4,342 Views
27 Pages

Genistin, an isoflavone belonging to the phytoestrogen family, has been reported to possess various therapeutic effects. In the present study, the genistin metabolites in rats were investigated by UHPLC-LTQ-Orbitrap mass spectrometer in both positive...

  • Article
  • Open Access
35 Citations
7,654 Views
11 Pages

Association between Metabolite Profiles, Metabolic Syndrome and Obesity Status

  • Bénédicte Allam-Ndoul,
  • Frédéric Guénard,
  • Véronique Garneau,
  • Hubert Cormier,
  • Olivier Barbier,
  • Louis Pérusse and
  • Marie-Claude Vohl

27 May 2016

Underlying mechanisms associated with the development of abnormal metabolic phenotypes among obese individuals are not yet clear. Our aim is to investigate differences in plasma metabolomics profiles between normal weight (NW) and overweight/obese (O...

  • Article
  • Open Access
26 Citations
5,921 Views
22 Pages

Exploring Secondary Metabolite Profiles of Stachybotrys spp. by LC-MS/MS

  • Annika Jagels,
  • Viktoria Lindemann,
  • Sebastian Ulrich,
  • Christoph Gottschalk,
  • Benedikt Cramer,
  • Florian Hübner,
  • Manfred Gareis and
  • Hans-Ulrich Humpf

27 February 2019

The genus Stachybotrys produces a broad diversity of secondary metabolites, including macrocyclic trichothecenes, atranones, and phenylspirodrimanes. Although the class of the phenylspirodrimanes is the major one and consists of a multitude of metabo...

  • Review
  • Open Access
30 Citations
7,081 Views
38 Pages

Metabolite Sensing GPCRs: Promising Therapeutic Targets for Cancer Treatment?

  • Jesús Cosín-Roger,
  • Dolores Ortiz-Masia,
  • Maria Dolores Barrachina and
  • Sara Calatayud

23 October 2020

G-protein-coupled receptors constitute the most diverse and largest receptor family in the human genome, with approximately 800 different members identified. Given the well-known metabolic alterations in cancer development, we will focus specifically...

  • Article
  • Open Access
2 Citations
1,669 Views
14 Pages

Metabolite Analysis of Hangzhou Gongmei White Tea of Different Varieties

  • Cun Ao,
  • Xiaojun Niu,
  • Haitao Huang,
  • Jizhong Yu and
  • Zhiqiang Cheng

4 May 2025

To comprehensively understand the quality characteristics and key characteristic metabolites of Hangzhou Gongmei white tea (HGW), an integrated approach involving sensory evaluation, chemical composition analysis, gas chromatography–mass spectr...

  • Review
  • Open Access
324 Views
23 Pages

The Emerging Roles of Metabolite-Activated GPCRs in Teleost Physiology and Aquaculture Development

  • Guan-Yuan Wei,
  • Ming-Yuan Wu,
  • Lan Ding,
  • Zhen-Fa Qin,
  • Zheng-Xiang Zhang,
  • Liang-Jia Wei and
  • Zhi-Shuai Hou

26 December 2025

Metabolites, once viewed mainly as energy substrates or structural precursors, are now increasingly recognized as key extracellular signaling mediators that regulate diverse physiological processes. This review synthesizes and systematizes current kn...

  • Review
  • Open Access
55 Citations
7,933 Views
19 Pages

MYC2: A Master Switch for Plant Physiological Processes and Specialized Metabolite Synthesis

  • Lei Luo,
  • Ying Wang,
  • Lu Qiu,
  • Xingpei Han,
  • Yaqian Zhu,
  • Lulu Liu,
  • Mingwu Man,
  • Fuguang Li,
  • Maozhi Ren and
  • Yadi Xing

9 February 2023

The jasmonic acid (JA) signaling pathway plays important roles in plant defenses, development, and the synthesis of specialized metabolites synthesis. Transcription factor MYC2 is a major regulator of the JA signaling pathway and is involved in the r...

  • Article
  • Open Access
2,230 Views
17 Pages

A Map of the Lipid–Metabolite–Protein Network to Aid Multi-Omics Integration

  • Uchenna Alex Anyaegbunam,
  • Aimilia-Christina Vagiona,
  • Vincent ten Cate,
  • Katrin Bauer,
  • Thierry Schmidlin,
  • Ute Distler,
  • Stefan Tenzer,
  • Elisa Araldi,
  • Laura Bindila and
  • Miguel A. Andrade-Navarro

26 March 2025

The integration of multi-omics data offers transformative potential for elucidating complex molecular mechanisms underlying biological processes and diseases. In this study, we developed a lipid–metabolite–protein network that combines a...

  • Article
  • Open Access
6 Citations
3,889 Views
14 Pages

21 March 2024

With increasing interest in Korean foods and beverages, Korean traditional alcoholic beverages need to be studied. To characterize Korean traditional alcoholic beverages, we analyzed the metabolites of Takju, Yakju, and Traditional-Soju using 48 comm...

  • Article
  • Open Access
1,661 Views
15 Pages

21 August 2025

Fermented vinegars have been highlighted globally for their health benefits. The benefits can differ according to the type of vinegar; therefore, we investigated the differences of 15 grain (GV), 10 persimmon (PV), and 14 apple vinegars (AV) using in...

  • Article
  • Open Access
13 Citations
3,595 Views
13 Pages

Convolutional Neural Network-Based Compound Fingerprint Prediction for Metabolite Annotation

  • Shijinqiu Gao,
  • Hoi Yan Katharine Chau,
  • Kuijun Wang,
  • Hongyu Ao,
  • Rency S. Varghese and
  • Habtom W. Ressom

Metabolite annotation has been a challenging issue especially in untargeted metabolomics studies by liquid chromatography coupled with mass spectrometry (LC-MS). This is in part due to the limitations of publicly available spectral libraries, which c...

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