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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.
George W. A. Milne, Shaomeng Wang
openaire   +3 more sources

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 ...
Lutz Müller   +5 more
openaire   +3 more sources

What is Computational Toxicology?

2012
Computational toxicology is a vibrant and rapidly developing discipline that integrates information and data from a variety of sources to develop mathematical and computer-based models to better understand and predict adverse health effects caused by chemicals, such as environmental pollutants and pharmaceuticals.
Brad Reisfeld, Arthur N. Mayeno
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Computational Toxicology

International Journal for Research in Applied Science and Engineering Technology
: The discipline of “computational” toxicology has been studied thoroughly and its applications have been implemented in the field to the advantage of many individuals by providing cheap and rapid solutions for chemical screening.The current review ...
Priyanka Hari Borude
semanticscholar   +1 more source

Computational Embryology and Predictive Toxicology

2022
Invited presentation to the Interagency Modeling and Analysis Group (IMAG) Multiscale Modeling (MSM) Consortium July 2022 Search for CCTE records in EPA’s Science Inventory by typing in the title at this link. https://cfpub.epa.gov/si/si_public_search_results.cfm?advSearch=true&showCriteria=2&keyword=CCTE&TIMSType=&TIMSSubTypeID=& ...
Barham, Kaitlyn, Knudsen, Thomas
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Computational Toxicology

2010
Computational toxicology encompasses database creation, approaches for processing large amounts of data to discover novel associations and formulate hypotheses, and the development of in silico models to simulate chemical perturbations of biological systems leading to toxicological outcomes.
A.V. Singh   +3 more
openaire   +2 more sources

Computational Toxicology in EPA

2017
Presentation in Iowa City at ...
0000-0003-1749-9971, Crofton, Kevin
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Predictive Toxicology and Computational Biology

2017
Dr.
Knudsen, Thomas B., 0000-0002-9678-8175
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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 ...
Richard S. Judson   +5 more
openaire   +3 more sources

Is computational toxicology withering on the vine?

Archives of Toxicology, 2010
The difficulties of developing predictive computational models of toxicity are discussed in relation to their internal and external validation, the selection of relevant physicochemical data and the need to characterise the structure-activity relationship landscapes obtained with training sets of chemicals by using recently published methods.
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