Serum Metabolomics for Drug-Induced Liver Injury Biomarkers with Machine Learning

A metabolomic study of 44 drug-induced liver injury (DILI) cases, comprising 17 intrinsic and 27 idiosyncratic types, conducted by Xianni Wei. The dataset contains metabolomic profiles generated via high-performance chemical isotope labeling liquid chromatography–mass spectrometry (HP-CIL LC-MS) to identify differential metabolites. The research, last updated in March 2026, employed machine learning models to evaluate diagnostic biomarkers, achieving area under the curve (AUC) values greater than 0.8.

Use Cases

• Training diagnostic classifiers to distinguish intrinsic from idiosyncratic DILI based on identified differential metabolites.
• Validating potential serum biomarkers like Alanyl-Glycine and N2-Acetyl-L-Cystathionine for liver injury subtyping.
• Analyzing metabolic pathway disruptions in amino acid metabolism, including tryptophan and tyrosine pathways.
• Benchmarking machine learning model performance (e.g., ROC analysis, cross-validation) on a clinical metabolomics dataset.

Strengths

• Includes metabolomic data from 44 clinically classified DILI cases (17 intrinsic, 27 idiosyncratic).
• Machine learning models demonstrated high diagnostic performance, with a holdout validation AUC of 0.935.
• Identifies four specific differential metabolites with associated confidence levels (e.g., level 1, level 2a).
• Released under a permissive CC-BY-4.0 license, allowing for reuse and modification.

Limitations

• Row count and column-level documentation are unknown, limiting suitability assessment.
• The dataset is very small in scale at 184.6 KB, which may constrain model generalizability.
• Geographic and demographic context for the serum samples is not provided in the available metadata.

Provenance

Source

Xianni Wei via figshare.

Collection Method

Serum samples were analyzed using high-performance chemical isotope labeling liquid chromatography–mass spectrometry (HP-CIL LC-MS). Cases were classified per EASL and NEJM guidelines.

Freshness

Last updated 2026-03-18 07:36:42.