In silico prediction of toxicity and its applications for chemicals at work
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MINI REVIEW
In silico prediction of toxicity and its applications for chemicals at work Kyung‑Taek Rim1 Accepted: 21 April 2020 © Korean Society of Environmental Risk Assessment and Health Science 2020
Abstract Objective and methods This study reviewed the concept of in silico prediction of chemical toxicity for prevention of occupational cancer and future prospects in workers’ health. In this review, a new approach to determine the credibility of in silico predictions with raw data is explored, and the method of determining the confidence level of evaluation based on the credibility of data is discussed. I searched various papers and books related to the in silico prediction of chemical toxicity and carcinogenicity. The intention was to utilize the most recent reports after 2015 regarding in silico prediction. Results and conclusion The application of in silico methods is increasing with the prediction of toxic risks to human and the environment. The various toxic effects of industrial chemicals have triggered the recognition of the importance of using a combination of in silico models in the risk assessments. In silico occupational exposure models, industrial accidents, and occupational cancers are effectively managed and chemicals evaluated. It is important to identify and manage hazardous substances proactively through the rigorous evaluation of chemicals. Keywords Chemical toxicity · In silico · Prediction · Review · Workers’ health
Introduction The method of identifying the hazards of chemicals has been almost entirely dependent on animal tests. Obtaining all the toxicological results for a single chemical using laboratory animals requires the sacrifice of at least thousands of animals. The tremendous cost and time required for animal testing are also major barriers to evaluating chemicals known to be commercially available at home and abroad [1]. The EU has established a new chemical assessment paradigm (REACH, enacted in 2007) to evaluate chemicals globally, including the staged registration and evaluation of all existing chemicals that have been manufactured and imported without safety information [2]. In the USA, quantitative structure–activity relationships (QSARs) predictions are used to evaluate two to three thousand chemicals each year and to assess a significant portion of the toxicity information [3]. Due to the uncertainty in the predictions, their * Kyung‑Taek Rim [email protected] 1
Chemicals Research Bureau, Occupational Safety and Health Research Institute, Korea Occupational Safety and Health Agency, Daejeon, Korea
use is extremely limited. While the EU and other countries have been very passive in introducing QSARs, they are now actively investing in the development and expansion of QSARs programs with the introduction of the REACH system that declares ‘No Data, No Market’ for all chemicals. In addition, institutional support has been established to require that non-testing methods, such as QSARs, be identified first, before conducting a new toxicity test for REACH registration [2
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