Results 191 to 200 of about 70,828 (242)

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
openaire   +3 more sources

Computational Toxicology

2018
Computational toxicology played an important role in the ongoing paradigm shift in the field of toxicology. Computation toxicology is inherently a multidisciplinary field, and it comprises the building of models of many different types with different techniques.
S. Thakkar, Weida Tong, Huixiao Hong, R. Perkins   +3 more
openaire   +3 more sources

Molecular Similarity in Computational Toxicology

2018
The concept of chemical similarity has many applications in several fields of cheminformatics. One common use of chemical similarity measurements, based on the principle that similar molecules have similar properties, is in the context of the read-across approach, where estimates of a specific endpoint for a chemical are obtained starting from ...
Matteo Floris, Matteo Floris, Stefania Olla   +2 more
openaire   +4 more sources

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
openaire   +1 more source

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, R.J. Kavlock, A.M. Richard, C. Yang   +3 more
openaire   +2 more sources

Computational Toxicology and Drug Discovery

2018
The use of computational toxicology methods within drug discovery began in the early 2000s with applications such as predicting bacterial mutagenicity and hERG inhibition. The field has been continuously expanding ever since and the tasks at hand have become more complex.
Glenn J. Myatt, Catrin Hasselgren
openaire   +3 more sources

Computational Toxicology in EPA

2017
Presentation in Iowa City at ...
0000-0003-1749-9971, Crofton, Kevin
openaire   +1 more source

Predictive Toxicology and Computational Biology

2017
Dr.
Knudsen, Thomas B., 0000-0002-9678-8175
openaire   +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 ...
Richard S. Judson, Nisha S. Sipes, Matthew T. Martin, Kelly J. Chandler, Thomas B. Knudsen, Nicole Kleinstreuer   +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.
openaire   +2 more sources