The digital evolution in toxicology: pioneering computational education for emerging challenges [PDF]
BMC Medical EducationThe educational landscape of toxicology is increasingly integrating computational methodologies due to ethical concerns about animal testing and advancements in biotechnological and data analysis tools.
Jin Wang, Jianxiang Li
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The rapid development of computational toxicology. [PDF]
Arch Toxicol, 2020 Many drugs have the potential to cause drug-induced liver injury (DILI); however, underlying mechanisms are diverse. The concept of adverse outcome pathways (AOPs) has become instrumental for risk assessment of drug class effects. We report AOPs specific for immune-mediated and drug hypersensitivity/allergic hepatitis by considering genomic, histo- and
Bolt HM, Hengstler JG.
europepmc +5 more sources
Overview of Computational Toxicology Methods Applied in Drug and Green Chemical Discovery [PDF]
Journal of XenobioticsIn the field of computational chemistry, computer models are quickly and cheaply constructed to predict toxicology hazards and results, with no need for test material or animals as these computational predictions are often based on physicochemical ...
Jose I. Bueso-Bordils +3 more
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Computational toxicology using the OpenTox application programming interface and Bioclipse [PDF]
BMC Research Notes, 2011 Background Toxicity is a complex phenomenon involving the potential adverse effect on a range of biological functions. Predicting toxicity involves using a combination of experimental data (endpoints) and computational methods to generate a set of ...
Willighagen Egon L +4 more
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A Computational Toxicology Approach to Screen the Hepatotoxic Ingredients in Traditional Chinese Medicines: Polygonum multiflorum Thunb as a Case Study [PDF]
Biomolecules, 2019 In recent years, liver injury induced by Traditional Chinese Medicines (TCMs) has gained increasing attention worldwide. Assessing the hepatotoxicity of compounds in TCMs is essential and inevitable for both doctors and regulatory agencies.
Shuaibing He +5 more
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The Next Generation Blueprint of Computational Toxicology at the U.S. Environmental Protection Agency [PDF]
Toxicological Sciences, 2019 Russell S Thomas +2 more
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Predicting molecular initiating events using chemical target annotations and gene expression
BioData Mining, 2022 Background The advent of high-throughput transcriptomic screening technologies has resulted in a wealth of publicly available gene expression data associated with chemical treatments.
Joseph L. Bundy +5 more
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A harmonized chemical monitoring database for support of exposure assessments
Scientific Data, 2022 Measurement(s) occurrence of chemicals in environmental and biological media Technology Type(s) mass spectrometry (curation of public data) Sample Characteristic - Organism Homo sapiens • aquatic invertebrates • aquatic vertebrates/mammals • birds • fish
Kristin K. Isaacs +12 more
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Annotation depth confounds direct comparison of gene expression across species
BMC Bioinformatics, 2021 Background Comparisons of the molecular framework among organisms can be done on both structural and functional levels. One of the most common top-down approaches for functional comparisons is RNA sequencing. This estimation of organismal transcriptional
Elias Oziolor, Seda Arat, Matthew Martin
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Toxics, 2022 With the abundance of chemicals in the environment that could potentially cause neurodevelopmental deficits, there is a need for rapid testing and chemical screening assays.
Kimberly A. Jarema +6 more
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