Xenometabolomics in Ecotoxicology: Concepts and Applications
Bibliographic record
Abstract
Nontargeted high-resolution mass spectrometry (HRMS) allows for the characterization of a large fraction of the exposome, i.e., the entirety of chemicals an organism is exposed to, and helps detect important exogenous chemical compounds that could be key drivers of toxicological impact. Along with these chemical compounds occur endogenous metabolites that are essential for the health of the host organism. Chemical compounds derived from the biotransformation of xenobiotics present in the exposome are referred to as the xenometabolome, while endogenous metabolites derived from the host organism are referred to as the endometabolome. Recent advancements in HRMS technology allow for the detection of chemical features of biological and ecological importance in the context of chemical safety assessments with unprecedented sensitivity and resolution. In this perspective, we highlight the application of HRMS-based metabolomics of organisms in the context of ecotoxicology, the complexity of comprehensively characterizing the endometabolome, and distinguishing chemical compounds of the xenometabolome.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.002 | 0.001 |
| Bibliometrics | 0.004 | 0.004 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.002 | 0.003 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.002 | 0.003 |
| Insufficient payload (model declined to judge) | 0.004 | 0.002 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".