OECD QSAR Application Toolbox를 이용한 화학물질의 건강유해성 및 생태독성 예측

• 영문명: Prediction of Human Health and Ecotoxicity of Chemical Substances Using the OECD QSAR Application Toolbox
• 발행기관: 한국환경보건학회
• 저자명: 김정곤(Jungkon Kim) 서정관(Jung-Kwan Seo) 김탁수(Taksoo Kim) 김현경(Hyun-Kyung Kim) 박상희(Sanghee Park) 김필제(Pil-Je Kim)
• 간행물 정보: 『한국환경보건학회지』제39권 제2호, 130~137쪽, 전체 8쪽
• 주제분류: 공학 > 환경공학
• 파일형태: PDF
• 발행일자: 2013.04.30

영문 초록

Objectives: The OECD QSAR Application Toolbox was developed by the Organisation for Economic Cooperation and Development (OECD) to facilitate the practical use of QSAR approaches in regulatory contexts as well as to reduce the need for additional animal testing. In this study, human health and the ecotoxicity of chemicals were predicted by applying the OECD QSAR Application Toolbox and the results were compared with experimental data in order to evaluate the applicability of this program. Methods: Read-across, trend analysis, and QSAR of OECD QSAR Application Toolbox were used for the prediction of toxicity. Results: The toxicity prediction was conducted on 6,354 chemicals for which toxicity data have been produced on the six endpoints of skin sensitization, skin irritation, eye irritation, mutagenicity, and acute toxicities of fish and Daphnia. From the total of 6,354, we obtained prediction results for 1,621 chemicals (25.5%). Conclusions: The predicted properties of mutagenicity, skin sensitization, and acute aquatic toxicities were reasonably good when compared with experimental data, but other endpoints were not due to the limitation of applicable chemical groups.

키워드

categolisation non-testing methods OECD QSAR application toolbox REACH read-across