ReviewMetabolomics : Official journal of the Metabolomic Society2022
Problems, principles and progress in computational annotation of NMR metabolomics data.
Review in Metabolomics : Official journal of the Metabolomic Society, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
11 citing papers in PubMed.
- NMR-Based Quantification of Collagen Content in Protein Hydrolysates.Journal of agricultural and food chemistry · 2026Article
- Parsing Neurometabolic Signatures of Multiple Sclerosis with MRSI and cPCA.medRxiv : the preprint server for health sciences · 2026Article
- Scalable cyberinfrastructure for experimental NMR data.Scientific data · 2025Article
- Automatic Identification of Potential Cellular Metabolites for Untargeted NMR Metabolomics.NMR in biomedicine · 2025Article
- Chemical Composition and Biological Activities ofMolecules (Basel, Switzerland) · 2025Review
- Network Flow Methods for NMR-Based Compound Identification.Analytical chemistry · 2025Article
- MetAssimulo 2.0: a web app for simulating realistic 1D and 2D metabolomic 1H NMR spectra.Bioinformatics (Oxford, England) · 2025Article
- The prowess of metabolomics in cancer research: current trends, challenges and future perspectives.Molecular and cellular biochemistry · 2025Review
- NMR Fingerprinting of Conventional and Genetically Modified Soybean Plants with AtAREB1 Transcription Factors.ACS omega · 2024Article
- Recent advances in data- and knowledge-driven approaches to explore primary microbial metabolism.Current opinion in chemical biology · 2023Review
- Unsupervised Analysis of Small Molecule Mixtures by Wavelet-Based Super-Resolved NMR.Molecules (Basel, Switzerland) · 2023Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
2 authors.
Funding
Abstract
backgroundCompound identification remains a critical bottleneck in the process of exploiting Nuclear Magnetic Resonance (NMR) metabolomics data, especially for AIM OF REVIEW: This review is aimed at broadening the application of automated annotation tools by discussing the key ideas of spectral matching and beginning to describe a set of terms to classify this information, thus advancing standards for communicating annotation confidence. Additionally, we hope that this review will facilitate the growing collaboration between chemical data scientists, software developers and the NMR metabolomics community aiding development of long-term software solutions. KEY SCIENTIFIC CONCEPTS OF REVIEW: We begin with a brief discussion of the typical untargeted NMR identification workflow. We differentiate between annotation (hypothesis generation, filtering), and identification (hypothesis testing, verification), and note the utility of different NMR data features for annotation. We then touch on three parts of annotation: (1) generation of queries, (2) matching queries to reference data, and (3) scoring and confidence estimation of potential matches for verification. In doing so, we highlight existing approaches to automated and semi-automated annotation from the perspective of the structural information they utilize, as well as how this information can be represented computationally.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.