Results 1 to 10 of about 72,918 (293)
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
doaj +2 more sources
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
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
doaj +1 more source
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
doaj +1 more source
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
doaj +1 more source
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
doaj +1 more source
International Journal for Research in Applied Science and Engineering TechnologyCitation: 'computational toxicology' in the IUPAC Compendium of Chemical Terminology, 5th ed.; International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. 10.1351/goldbook.15583 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
Jie Liu +6 more
+6 more sources
Casting a wide net: use of diverse model organisms to advance toxicology [PDF]
, 2020 © The Author(s), 2020. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Hahn, M. E., & Sadler, K. C. Casting a wide net: use of diverse model organisms to advance toxicology.
Hahn, Mark E., Sadler, Kirsten C.
core +1 more source
npj Systems Biology and Applications, 2021 The ToxCast in vitro screening program has provided concentration-response bioactivity data across more than a thousand assay endpoints for thousands of chemicals found in our environment and commerce.
Jill A. Franzosa +12 more
doaj +1 more source
Artificial intelligence as the new frontier in chemical risk assessment
Frontiers in Artificial Intelligence, 2023 The rapid progress of AI impacts various areas of life, including toxicology, and promises a major role for AI in future risk assessments. Toxicology has shifted from a purely empirical science focused on observing chemical exposure outcomes to a data ...
Thomas Hartung, Thomas Hartung
doaj +1 more source