ArticleBMC bioinformatics2019
Random forest-based imputation outperforms other methods for imputing LC-MS metabolomics data: a comparative study.
Article in BMC bioinformatics, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 107 papers, 1 of them a synthesis that pooled it.
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Who cites it
107 citing papers in PubMed, 1 synthesis or guideline pooled it.
- Replication and mediation of the association between the metabolome and clinical markers of metabolic health in an adolescent cohort study.Scientific reports · 2023Pooled it
- Longitudinal multiomic signatures of ARDS and sepsis inflammatory phenotypes identify pathways associated with mortality.The Journal of clinical investigation · 2026Trial
- Exercise intensity determines circulating levels of Lac-Phe and other exerkines: a randomized crossover trial.Metabolomics : Official journal of the Metabolomic Society · 2025Trial
- Metabonaut: an open educational resource for learning reproducible, script-based untargeted LC-MS/MS metabolomics.Metabolomics : Official journal of the Metabolomic Society · 2026Review
- Exercise Metabolomics Reveals Intensity-Dependent Metabolic Responses Associated with Cardiorespiratory Fitness in Adults with Type 1 Diabetes.Metabolites · 2026Article
- Decision-Support Framework for Nutritional Risk in Small Cell Lung Cancer: A Time-Series Model Using Imputation Strategies for Incomplete Clinical Data.Thoracic cancer · 2026Article
- Conserved leaf-root metabolomic network asymmetry underpins divergent drought strategies.The Plant cell · 2026Article
- A Reporting Guideline for Observational Studies in Metabolomic Epidemiology: Explanation and Elaboration of the Strobe-MetEpi Checklist.Research square · 2026Article
- Association of serum biomarkers of dietary purine intake with glycaemic control and risk of preterm birth: two prospective cohort studies among pregnant women.EBioMedicine · 2026Article
- Integrating Metabolomics and Machine Learning for Advanced Chemical Detection.Sensors (Basel, Switzerland) · 2026Review
- Metabolic reprogramming in aortic diseases: insights from metabolomics and therapeutic opportunities.Medical review (2021) · 2026Review
- PGEAnimals : an open access journal from MDPI · 2026Article
- Integration of metabolomic and genetic data reveals novel variants underpinning the human metabolome: the Coronary Artery Risk Development in Young Adults (CARDIA) study.medRxiv : the preprint server for health sciences · 2026Article
- Explainable SHAP- XGBoost with DAT and clinical data for freezing of gait detection in Parkinson disease.NPJ Parkinson's disease · 2026Article
- The Clinical Implications of Sex on Waitlist Outcomes in Patients With Acute-on-Chronic Liver Failure.Gastro hep advances · 2026Article
- Metabolomic signatures connect and mediate sedentary time-driven mortality risk in patients with cardiovascular disease.Frontiers in sports and active living · 2026Article
- Development and validation of an interpretable machine learning model for predicting atrial fibrillation risk in middle-aged and older patients with coronary heart disease.Frontiers in cardiovascular medicine · 2026Article
- AI-Driven Quantitative Metabolomics for Early and Precise HIE Diagnosis: Challenges and Solutions.ACS omega · 2025Review
- Exploring Random Forest in Genetic Risk Score Construction.Genetic epidemiology · 2025Article
- Childhood Mild Traumatic Brain Injury is Reliably Associated with Anxiety but Not Other Examined Psychiatric Outcomes at Two-Year Follow-up, After Adjusting for Prior Mental Health.Journal of child psychology and psychiatry, and allied disciplines · 2025Article
47 more citing papers are in PubMed but not listed here.
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Abstract
backgroundLC-MS technology makes it possible to measure the relative abundance of numerous molecular features of a sample in single analysis. However, especially non-targeted metabolite profiling approaches generate vast arrays of data that are prone to aberrations such as missing values. No matter the reason for the missing values in the data, coherent and complete data matrix is always a pre-requisite for accurate and reliable statistical analysis. Therefore, there is a need for proper imputation strategies that account for the missingness and reduce the bias in the statistical analysis.
resultsHere we present our results after evaluating nine imputation methods in four different percentages of missing values of different origin. The performance of each imputation method was analyzed by Normalized Root Mean Squared Error (NRMSE). We demonstrated that random forest (RF) had the lowest NRMSE in the estimation of missing values for Missing at Random (MAR) and Missing Completely at Random (MCAR). In case of absent values due to Missing Not at Random (MNAR), the left truncated data was best imputed with minimum value imputation. We also tested the different imputation methods for datasets containing missing data of various origin, and RF was the most accurate method in all cases. The results were obtained by repeating the evaluation process 100 times with the use of metabolomics datasets where the missing values were introduced to represent absent data of different origin.
conclusionType and rate of missingness affects the performance and suitability of imputation methods. RF-based imputation method performs best in most of the tested scenarios, including combinations of different types and rates of missingness. Therefore, we recommend using random forest-based imputation for imputing missing metabolomics data, and especially in situations where the types of missingness are not known in advance.
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