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A Machine-Learned "Chemical Intuition" to Overcome Spectroscopic Data Scarcity

Cailum M. K. Stienstra, Teun van Wieringen, Liam Hebert, Patrick Thomas, Kas J. Houthuijs, Giel Berden, Jos Oomens, Jonathan Martens, W. Scott Hopkins

Version 1 posted 10 December 2024

141

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Analytical Chemistry

Review

Exploring Single-probe Single-Cell Mass Spectrometry: Current Trends and Future Directions

Deepti Bhusal, Shakya Munige, Zongkai Peng, Zhibo Yang

Version 1 posted 20 December 2024

24

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Analytical Chemistry

Working Paper

In-Plate Metabolomics of Single Zebrafish Embryos

Anton Ribbenstedt, Malte Posselt, Carl Brunius, Jonathan P. Benskin

Version 1 posted 29 October 2019

851

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Analytical Chemistry

Working Paper

The molecular effect of wearing silver-threaded clothing on the human skin

Alexey Melnik, Chris Callewaert, Kathleen Dorrestein, Rosie Broadhead, Jeremiah J. Minich, Madeleine Ernst, Greg Humphrey, Gail Ackermann, Rob Gathercole, Alexander A. Aksenov, Rob Knight, Pieter C. Dorrestein

Version 1 posted 08 September 2022

488

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1

Citations

Earth, Space, and Environmental Chemistry

Working Paper

Perfluorooctanoic acid dominates the molecular-level effects of a trace mixture of perfluorooctanoic acid and perfluorooctane sulfonic acid in earthworm

Ziwei Han, Bolaji Oyeyemi, Jenny Zenobio, Omobayo Salawu, Adeyemi Adeleye

Version 1 posted 13 February 2023

287

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Agriculture and Food Chemistry

Working Paper

Monitoring metabolic changes during storage of hazelnuts (Corylus avellana L.) by 1H NMR spectroscopy

Navid Shakiba, Henri Lösel, Soeren Wenk, René Bachmann, Marina Creydt, Stephan Seifert, Markus Fischer, Thomas Hackl

Version 2 posted 20 July 2022

378

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Biological and Medicinal Chemistry

Working Paper

Metabolomics reveals a unique CYP3A-mediated C(sp3)-C(sp2) bond cleavage via ipso-addition reaction in drug metabolism

Feng Li, Xuan Qin, Yong Wang, Kevin Mackenzie, Qiuji Ye, John M. Hakenjos, Jin Wang, Mingxing Teng, Lei Guo, Zhi Tan, Damian W. Young

Version 1 posted 05 June 2023

297

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2

Citations

Analytical Chemistry

Working Paper

Addressing Missing Data in GC×GC Metabolomics: Identifying Missingness Type and Evaluating the Impact of Imputation Methods on Experimental Replication

Trenton J. Davis, Tarek R. Firzli, Emily A. Higgins Keppler, Matt Richardson, Heather D. Bean

Version 3 posted 30 May 2022

1,263

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Agriculture and Food Chemistry

Review

Unraveling Plant-Microbe Dynamics with Metabolomics: Pathogens, Symbionts, and Endophytes

Katie Fan

Version 1 posted 04 July 2024

124

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Agriculture and Food Chemistry

Working Paper

1H NMR metabolic profiling for the differentiation of fish species

Melike Saglam, Nele Paasch, Anna Lena Horns, Markus Weidner, René Bachmann

Version 1 posted 05 May 2023

179

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1

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Refine Search

72 results in Metabolomics in Keywords: Metabolomics

A Machine-Learned "Chemical Intuition" to Overcome Spectroscopic Data Scarcity

Exploring Single-probe Single-Cell Mass Spectrometry: Current Trends and Future Directions

In-Plate Metabolomics of Single Zebrafish Embryos

The molecular effect of wearing silver-threaded clothing on the human skin

Perfluorooctanoic acid dominates the molecular-level effects of a trace mixture of perfluorooctanoic acid and perfluorooctane sulfonic acid in earthworm

Monitoring metabolic changes during storage of hazelnuts (Corylus avellana L.) by 1H NMR spectroscopy

Metabolomics reveals a unique CYP3A-mediated C(sp3)-C(sp2) bond cleavage via ipso-addition reaction in drug metabolism

Addressing Missing Data in GC×GC Metabolomics: Identifying Missingness Type and Evaluating the Impact of Imputation Methods on Experimental Replication

Unraveling Plant-Microbe Dynamics with Metabolomics: Pathogens, Symbionts, and Endophytes

1H NMR metabolic profiling for the differentiation of fish species

72 results in Keywords: Metabolomics