ReviewEnvironmental science & technology2023
Critical Assessment of the Chemical Space Covered by LC-HRMS Non-Targeted Analysis.
Review in Environmental science & technology, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 31 papers.
What it found
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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.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
31 citing papers in PubMed.
- Quantitative method comparison in non-targeted analysis using cascade classification.Analytical and bioanalytical chemistry · 2026Article
- A Two-Step Prioritization Framework for the Nontargeted LC-HRMS Analysis of Chemicals of Environmental Concern and Byproducts during Drinking Water Production.ACS measurement science au · 2026Article
- Remediation of organic pollutants by Fenton-like reactions with spinel catalysts: pathways, transformation products, and reactor perspectives.Environmental science and pollution research international · 2026Review
- Advancing the Discovery of Emerging Contaminants: A Leap in Technology and Data.Environmental science & technology · 2026Review
- Combination of Chromatographic and Machine Learning-Driven Virtual Fractionation Identifies Aryl Hydrocarbon Receptor Agonists in Sediments.Environmental science & technology · 2026Article
- Measurable Feature Prediction for Estimating Chemical Space Coverage in LC-ESI-HRMS Nontargeted Analysis.Analytical chemistry · 2026Article
- Eco-Friendly Sample Preparation Trends for Exogenous Toxic Organic Compounds in Food: A Sustainable Perspective for LC-MS Analysis.Foods (Basel, Switzerland) · 2026Review
- Influence of grinding particle size on the non-targeted analysis of semivolatile organic pollutants in soil.Analytical and bioanalytical chemistry · 2026Article
- Towards Spectral Variation Analysis: A Data Quality Framework for Non-Targeted Methods.Molecules (Basel, Switzerland) · 2025Article
- DeePFAS: Deep-Learning-Enabled Rapid Annotation of PFAS: Enhancing Nontargeted Screening through Spectral Encoding and Latent Space Analysis.Environmental science & technology · 2025Article
- Persistence-Directed Testing of Chemicals Discharged from Offshore Oil Platforms Combined with Nontargeted Analysis.Environmental science & technology · 2025Article
- Large-scale generation of in silico based spectral libraries to annotate dark chemical space features in non-target analysis.Analytical and bioanalytical chemistry · 2025Article
- A stochastic approach for parameter optimization of feature detection algorithms for non-target screening in mass spectrometry.Analytical and bioanalytical chemistry · 2025Article
- A Novel Chemical-Space-Dependent Strategy for Compound Selection in Non-target LC-HRMS Method Development Using Physicochemical and Structural Data.Environmental science & technology letters · 2025Article
- Machine Learning for Enhanced Identification Probability in RPLC/HRMS Nontargeted Workflows.Analytical chemistry · 2025Article
- Nontargeted Urinary Profiling Strategy for Endocrine-Disrupting Chemicals in Women with Ovarian Malignancies.Environmental science & technology · 2025Article
- Prioritization of Unknown LC-HRMS Features Based on Predicted Toxicity Categories.Environmental science & technology · 2025Article
- Machine Learning-based Classification for the Prioritization of Potentially Hazardous Chemicals with Structural Alerts in Nontarget Screening.Environmental science & technology · 2025Article
- Supramolecular solvents: a gateway to all-in-one extractions in chemical exposomics.Analytical and bioanalytical chemistry · 2025Review
- Non-Targeted Analysis of Environmental Contaminants and Their Associations with Semen Health Factors in Men from New York City.Environment & health (Washington, D.C.) · 2025Article
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Non-targeted analysis (NTA) has emerged as a valuable approach for the comprehensive monitoring of chemicals of emerging concern (CECs) in the exposome. The NTA approach can theoretically identify compounds with diverse physicochemical properties and sources. Even though they are generic and have a wide scope, non-targeted analysis methods have been shown to have limitations in terms of their coverage of the chemical space, as the number of identified chemicals in each sample is very low (e.g., ≤5%). Investigating the chemical space that is covered by each NTA assay is crucial for understanding the limitations and challenges associated with the workflow, from the experimental methods to the data acquisition and data processing techniques. In this review, we examined recent NTA studies published between 2017 and 2023 that employed liquid chromatography-high-resolution mass spectrometry. The parameters used in each study were documented, and the reported chemicals at confidence levels 1 and 2 were retrieved. The chosen experimental setups and the quality of the reporting were critically evaluated and discussed. Our findings reveal that only around 2% of the estimated chemical space was covered by the NTA studies investigated for this review. Little to no trend was found between the experimental setup and the observed coverage due to the generic and wide scope of the NTA studies. The limited coverage of the chemical space by the reviewed NTA studies highlights the necessity for a more comprehensive approach in the experimental and data processing setups in order to enable the exploration of a broader range of chemical space, with the ultimate goal of protecting human and environmental health. Recommendations for further exploring a wider range of the chemical space are given.
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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.