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Prediction of primary human targets and toxicity mechanisms of imidacloprid using integrative <i>In Silico</i> approaches. [PDF]

Toxicol Rep
Boonyong C, Powthong P.
europepmc   +1 more source

Commentary on "Mechanistic insights into PFOS-induced inflammatory bowel disease: a network toxicology and molecular docking study". [PDF]

Int J Surg
Hu X, Xiang Z, Zhu H.
europepmc   +1 more source

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Computational Toxicology

2021
Presentation to the American College of Toxicology s online Advanced Comprehensive Toxicology course August 2021Search 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=&epaNumber=
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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, Alexander, Breidenbach, Holger, Fischer, Stephan, Kirchner, Lutz, Müller, Axel, Pähler   +5 more
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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, Ann, Richard, David, Dix, Keith, Houck, Fathi, Elloumi, Matthew, Martin, Tommy, Cathey, Thomas R, Transue, Richard, Spencer, Maritja, Wolf   +9 more
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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 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.
Catrin, Hasselgren, Glenn J, Myatt
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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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