ArticleChemistry Central journal2015
Identification of structural alerts for liver and kidney toxicity using repeated dose toxicity data.
Article in Chemistry Central journal, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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Who cites it
19 citing papers in PubMed, 46 citations in OpenAlex.
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- A systems-level integration of liver-kidney transcriptomics and genome-scale metabolic models reveals organ-specific injury mechanisms.Frontiers in toxicology · 2026Article
- Evaluation of acute and sub-acute toxicity ofResearch in pharmaceutical sciences · 2025Article
- Fate-tox: fragment attention transformer for E(3)-equivariant multi-organ toxicity prediction.Journal of cheminformatics · 2025Article
- Advancing Toxicity Predictions: A Review onEnvironment & health (Washington, D.C.) · 2024Review
- A potent MAPK13-14 inhibitor prevents airway inflammation and mucus production.American journal of physiology. Lung cellular and molecular physiology · 2023Article
- CrossFuse-XGBoost: accurate prediction of the maximum recommended daily dose through multi-feature fusion, cross-validation screening and extreme gradient boosting.Briefings in bioinformatics · 2023Article
- A potent MAPK13-14 inhibitor prevents airway inflammation and mucus production.bioRxiv : the preprint server for biology · 2023Article
- TransOrGAN: An Artificial Intelligence Mapping of Rat Transcriptomic Profiles between Organs, Ages, and Sexes.Chemical research in toxicology · 2023Article
- CORAL Models for Drug-Induced Nephrotoxicity.Toxics · 2023Article
- Identifying chemicals based on receptor binding/bioactivation/mechanistic explanation associated with potential to elicit hepatotoxicity and to support structure activity relationship-based read-across.Current research in toxicology · 2023Article
- Studies on the ethnopharmacology, antimicrobial activity, and toxicity ofF1000Research · 2022Article
- Article
- In-silico evaluation of Malawi essential medicines and reactive metabolites for potential drug-induced toxicities.BMC pharmacology & toxicology · 2021Article
- Article
- Review
- Alarms about structural alerts.Green chemistry : an international journal and green chemistry resource : GC · 2016Article
- A New Structure-Activity Relationship (SAR) Model for Predicting Drug-Induced Liver Injury, Based on Statistical and Expert-Based Structural Alerts.Frontiers in pharmacology · 2016Article
Corrections and comments
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Authors and funding
5 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
backgroundThe potential for a compound to cause hepatotoxicity and nephrotoxicity is a matter of extreme interest for human health risk assessment. To assess liver and kidney toxicity, repeated-dose toxicity (RDT) studies are conducted mainly on rodents. However, these tests are expensive, time-consuming and require large numbers of animals. For early toxicity screening, in silico models can be applied, reducing the costs, time and animals used. Among in silico approaches, structure-activity relationship (SAR) methods, based on the identification of chemical substructures (structural alerts, SAs) related to a particular activity (toxicity), are widely employed.
resultsWe identified and evaluated some SAs related to liver and kidney toxicity, using RDT data on rats taken from the hazard evaluation support system (HESS) database. We considered only SAs that gave the best percentages of true positives (TP).
conclusionsIt was not possible to assign an unambiguous mode of action for all the SAs, but a mechanistic explanation is provided for some of them. Such achievements may help in the early identification of liver and renal toxicity of substances.
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