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Record W4414614003 · doi:10.1093/toxsci/kfaf137

Exploration of oxidative stress-mediated genetic toxicology modes of action using a pathway analysis, Connectivity Mapping, and transcriptional benchmark dosing-based framework

2025· article· en· W4414614003 on OpenAlexaff
K. Nadira De Abrew, Bastian Selman, Mahmoud Shobair, Xiaoling Zhang, Ashley Allemang, Stefan Pfuhler

Bibliographic record

VenueToxicological Sciences · 2025
Typearticle
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsProcter & Gamble (Canada)
Fundersnot available
KeywordsGenotoxicityDNA damageMicronucleus testToxicogenomicsAdverse Outcome PathwayIn vivoGenomicsFunctional genomicsMode of action

Abstract

fetched live from OpenAlex

Although current genetic toxicology practices can detect downstream genotoxicity effects, such as gene mutation and double-strand breaks, they are unable to detect the underlying mode of action (MoA) of a chemical or differentiate between direct- and indirect-acting genotoxicants without additional modification. The Adverse Outcome Pathway (AOP) framework is a useful tool to critically identify and evaluate MoAs and can enable subsequent quantitative dose-response assessments of genotoxicity endpoints. The recently developed AOP, "Oxidative DNA damage leading to chromosomal aberrations and mutations" (https://aopwiki.org/aops/296), pertains to 1 common genetic toxicology-relevant MoA: Oxidative stress. Reactive oxygen species (ROS) play a key role in regulating many biological processes; however, when disrupted, an excess of ROS can eventually lead to DNA damage and double-strand breaks. Here, we look at 18 compounds reported to have complete or mixed oxidative stress MoAs and use a combination of genomic tools such as Pathway analysis, Connectivity Mapping (CMap), and Transcriptional benchmark dose modeling to define a framework that can separate substances that test negative in vivo from true in vivo genotoxicants. TK6 cells were treated with the 18 compounds for 4 h, parallel micronucleus and genomics experiments were performed, and in vitro micronucleus data were used to infer dose for genomics analysis. The resulting genomic data were analyzed using pathway analysis for hypothesis generation; these hypotheses were tested using CMap and Transcriptional benchmark dose modeling. We demonstrate that a genomics-based workflow based on in vitro methods can be used to successfully separate in vivo genotoxicants from non-genotoxicants. These methods have the potential to evolve into Next Generation Risk Assessment tools that can be used for determining the contribution of the oxidative stress MoA in a predictive toxicology setting.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.298
Threshold uncertainty score0.454

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.003
Science and technology studies0.0000.001
Scholarly communication0.0000.001
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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.

Opus teacher head0.113
GPT teacher head0.369
Teacher spread0.256 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designSimulation or modeling
Domainnot available
GenreEmpirical

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".

Quick stats

Citations0
Published2025
Admission routes1
Has abstractyes

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