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Applications of computers to toxicological research

Chemical Research in Toxicology, 1993
Computers are used in toxicology in two ways. They are able to manage and manipulate large amounts of data, and it is because of this that they are used quite commonly to search toxicity databases. The mechanical ability of computers has led a number of organizations to pursue their use in regulatory compliance.
S, Wang, G W, Milne
openaire   +2 more sources

Predictive, Integrative, and Regulatory Aspects of AI-Driven Computational Toxicology - Highlights of the German Pharm-Tox Summit (GPTS) 2024.

Toxicology
The 9th German Pharm-Tox Summit (GPTS) and the 90th Annual Meeting of the German Society for Experimental and Clinical Pharmacology and Toxicology (DGPT) took place in Munich from March 13-15, 2024.
Ute Haßmann   +9 more
semanticscholar   +1 more source

Computational toxicology in drug development

Drug Discovery Today, 2008
Computational tools for predicting toxicity have been envisaged for their potential to considerably impact the attrition rate of compounds in drug discovery and development. In silico techniques like knowledge-based expert systems (quantitative) structure activity relationship tools and modeling approaches may therefore help to significantly reduce ...
Wolfgang, Muster   +5 more
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A novel approach to triazole fungicides risk characterization: Bridging human biomonitoring and computational toxicology.

Science of the Total Environment
Brazil stands as the world's leading coffee producer, where the extensive use of pesticides is economically critical yet poses health and environmental risks due to their non-selective mechanisms of action.
Luiz Paulo de Aguiar Marciano   +5 more
semanticscholar   +1 more source

Predictive Models and Computational Toxicology

2012
Understanding the potential health risks posed by environmental chemicals is a significant challenge elevated by the large number of diverse chemicals with generally uncharacterized exposures, mechanisms, and toxicities. The ToxCast computational toxicology research program was launched by EPA in 2007 and is part of the federal Tox21 consortium to ...
Thomas, Knudsen   +5 more
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Computational toxicology in drug safety research

Folia Pharmacologica Japonica, 2023
The progress of computational toxicology (CompTox) in drug safety research is highly anticipated. CompTox provides toxicity screening methods for drug discovery in the early stages. CompTox also contributes to fostering the application of the principles of the 3Rs in toxicity testing by expanding non-animal test methods.
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ACToR — Aggregated Computational Toxicology Resource

Toxicology and Applied Pharmacology, 2008
ACToR (Aggregated Computational Toxicology Resource) is a database and set of software applications that bring into one central location many types and sources of data on environmental chemicals. Currently, the ACToR chemical database contains information on chemical structure, in vitro bioassays and in vivo toxicology assays derived from more than 150
Richard, Judson   +9 more
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Application of a digital computer to emergency toxicology

Clinica Chimica Acta, 1974
Abstract A digital computer has been applied to the laboratory diagnosis of drug overdose. Analytic data is entered by the technologist at a keyboard in response to computer instructions. Major and minor ultraviolet absorption peaks, pH dependent spectral shifts, and peak absorbance ratios are used for decision making.
P, Jatlow, D, Seligson
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Computational Toxicology in EPA

2017
Presentation in Iowa City at ...
0000-0003-1749-9971, Crofton, Kevin
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Public Databases Supporting Computational Toxicology

Journal of Toxicology and Environmental Health, Part B, 2010
A major goal of the emerging field of computational toxicology is the development of screening-level models that predict potential toxicity of chemicals from a combination of mechanistic in vitro assay data and chemical structure descriptors. In order to build these models, researchers need quantitative in vitro and ideally in vivo data for large ...
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