Research map: Revisiting the Threshold of Toxicological Concern: a computational framework for structural classification, cross-scheme comparison and opportunities for refinement

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Papers in this map

  1. Estimation of toxic hazard—A decision tree approach · G.M. Cramer · 1976 · 1567 citations · Cited by this paper
  2. O-QT assistant: a multi-agent AI system for streamlined chemical hazard assessment and read-across analysis using the OECD QSAR toolbox API · 2025 · Related
  3. Structure-based thresholds of toxicological concern (TTC): guidance for application to substances present at low levels in the diet · R. Kroes · 2003 · 815 citations · Cited by this paper
  4. Integration of network toxicology and bioinformatics reveals novel neurodevelopmental toxicity mechanisms of 2,2′,4,4′-tetrabromodiphenyl ether · 2025 · Related
  5. An evaluation of the implementation of the Cramer classification scheme in the Toxtree software · Grace Y. Patlewicz · 2008 · 517 citations · Cited by this paper
  6. Computational modeling of the hepatocytes reveals new insights into alterations in drug metabolism, oxidative stress response, and glutathione detoxification in acetaminophen-induced hepatotoxicity associated with MASLD · 2025 · Related
  7. Correlation of structural class with no-observed-effect levels: A proposal for establishing a threshold of concern · Ian C. Munro · 1996 · 500 citations · Cited by this paper
  8. Computational fluid dynamics-based machine learning to predict respiratory dosimetry of tobacco product constituents · 2026 · Related
  9. New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling · Chihae Yang · 2015 · 204 citations · Cited by this paper
  10. Variation of the amino acid at position 107 is a major contributor to species-specific sensitivity to PPO inhibitors · 2026 · Related
  11. A practical guidance for Cramer class determination · David W. Roberts · 2015 · 39 citations · Cited by this paper
  12. A weighted-likelihood framework for class imbalance in Bayesian prediction models · 2026 · Related
  13. Evaluating potential refinements to existing Threshold of Toxicological Concern (TTC) values for environmentally-relevant compounds · Mark Nelms · 2019 · 24 citations · Cited by this paper
  14. Modeling molecular level mechanisms of oxidative stress generation induced by agrochemicals in CKDu initiation · 2025 · Related
  15. The expanded decision tree: Predicting chronic toxic potential and safe intake levels · Szabina A. Stice · 2025 · 7 citations · Cited by this paper
  16. Finding optimal designs for estimating hormesis effect sizes · 2026 · Related
  17. Evaluating the consistency of judgments derived through both in silico and expert application of the Cramer classification scheme · James W. Firman · 2024 · 6 citations · Cited by this paper
  18. Mathematical model for thyroid hormone regulation in foetal rat brain · 2026 · Related
  19. Investigating the feasibility of deriving new environmentally relevant thresholds of Toxicological Concern (TTCs) from estimated chronic human equivalent benchmark dose (eBMDHED) values · Grace Y. Patlewicz · 2026 · 1 citation · Cited by this paper

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