Results 1 to 10 of about 70,828 (242)

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 Xenobiotics
In 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, Gerardo M. Antón-Fos, Rafael Martín-Algarra, Pedro A. Alemán-López   +3 more
doaj   +2 more sources

The digital evolution in toxicology: pioneering computational education for emerging challenges

BMC Medical Education
The 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
doaj   +2 more sources

Advancing Computational Toxicology by Interpretable Machine Learning. [PDF]

Environ Sci Technol, 2023
Jia X, Wang T, Zhu H.
europepmc   +3 more sources

Navigating the Minefield of Computational Toxicology and Informatics: Looking Back and Charting a New Horizon. [PDF]

Front Toxicol, 2020
Patlewicz G.
europepmc   +3 more sources

Utilizing Multiple Behavioral Endpoints to Identify Negative Control Chemicals in a Larval Zebrafish Behavior Assay [PDF]

Toxics
Identifying reliable negative control compounds is essential for determining the sensitivity and specificity of screening assays. However, well-characterized negative controls for developmental neurotoxicity behavioral assays in larval zebrafish (Danio ...
Bridget R. Knapp, Deborah L. Hunter, Jeanene K. Olin, Stephanie Padilla, Kimberly A. Jarema   +4 more
doaj   +2 more sources

From QSAR to QSIIR: searching for enhanced computational toxicology models. [PDF]

Methods Mol Biol, 2013
Zhu H.
europepmc   +3 more sources

Decoding per- and polyfluoroalkyl substances (PFAS) in hepatocellular carcinoma: a multi-omics and computational toxicology approach. [PDF]

J Transl Med
Hong Y, Wang D, Liu Z, Chen Y, Wang Y, Li J.   +5 more
europepmc   +2 more sources

Evaluating the Enantioselective Neurotoxicity of Organophosphorus Pollutant Dioxabenzofos: Mechanistic Studies Employing Cellular, Molecular, and Computational Toxicology Assays [PDF]

ACS Omega
He Z, Zhang T, Lu X, Li R, Mei Q, Wang Q, Ding F, Peng W.   +7 more
europepmc   +2 more sources

Progress in data interoperability to support computational toxicology and chemical safety evaluation. [PDF]

Toxicol Appl Pharmacol, 2019
Watford S, Edwards S, Angrish M, Judson RS, Paul Friedman K.   +4 more
europepmc   +3 more sources