期刊
SAR AND QSAR IN ENVIRONMENTAL RESEARCH
卷 24, 期 5, 页码 617-629出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/1062936X.2013.773375
关键词
repeated dose toxicity; category approach; read-across; hazard evaluation support system; halobenzenes
类别
资金
- New Energy and Industrial Technology Development Organization (NEDO)
- Ministry of Economy, Trade and Industry (METI)
Repeated dose toxicity (RDT) is one of the most important hazard endpoints in the risk assessment of chemicals. However, due to the complexity of the endpoints associated with whole body assessment, it is difficult to build up a mechanistically transparent structure-activity model. The category approach, based on mechanism information, is considered to be an effective approach for data gap filling for RDT by read-across. Therefore, a library of toxicological categories was developed using experimental RDT data for 500 chemicals and mechanistic knowledge of the effects of these chemicals on different organs. As a result, 33 categories were defined for 14 types of toxicity, such as hepatotoxicity, hemolytic anemia, etc. This category library was then incorporated in the Hazard Evaluation Support System (HESS) integrated computational platform to provide mechanistically reasonable predictions of RDT values for untested chemicals. This article describes the establishment of a category library and the associated HESS functions used to facilitate the mechanistically reasonable grouping of chemicals and their subsequent read-across.
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