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Computational toxicology: a tool for all industries
Author(s) -
Marchant Carol A.
Publication year - 2011
Publication title -
wiley interdisciplinary reviews: computational molecular science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.126
H-Index - 81
eISSN - 1759-0884
pISSN - 1759-0876
DOI - 10.1002/wcms.100
Subject(s) - cheminformatics , chemical industry , in silico , biochemical engineering , computer science , chemical toxicity , hazard , cosmetics , chemical safety , data science , toxicology , engineering , chemistry , bioinformatics , environmental chemistry , biology , water pollutants , environmental engineering , biochemistry , organic chemistry , gene
Statistical, expert system, and machine learning methods among others have been used to develop in silico tools for the prediction of toxicological hazard from chemical structure. The models are being applied to the mammalian and environmental toxicological assessment of chemicals across a range of industries including cosmetics, foods, industrial chemicals, and pharmaceuticals. Their use within a regulatory environment has also been encouraged by recent legislation. Generally, the models address the potential toxicity of low to medium molecular weight organic chemicals but models for other chemical types such as proteins and nanoparticles have also received some attention. © 2011 John Wiley & Sons, Ltd. This article is categorized under: Computer and Information Science > Chemoinformatics