정량적인 구조-활성상관(QSAR) 기법을 활용한 in silico 위해평가

• 영문명: Evaluation of Quantitative Structure-Activity Relation Tool for in Silico Hazard Assessment
• 발행기관: 대한약학회
• 저자명: 이태환(Tae Whan Lee) 김민경(Min Kyeong Kim) 김희중(Hee Jung Kim) 이 얼(Erl Lee) 이용문(Yong-Moon Lee)
• 간행물 정보: 『약학회지』제63권 제5호(2019년), 314~318쪽, 전체 5쪽
• 주제분류: 의약학 > 기타의약학
• 파일형태: PDF
• 발행일자: 2019.10.30

영문 초록

Abstract The hazard testing on each chemicals which are continuously synthesized is too much task to meet the rapid industrial development. Currently, national administrative office also prohibited the distribution and sale of cosmetic products under animal testing. Therefore, as an alternative hazard evaluation method, a variety of in silico programs have been developed and applied to predict the chemical hazard assessment. The OECD Toolbox program which database is donated from many chemical companies and regulatory authorities of OECD nations is an excellent free software with comparable hazard prediction ability. In this study, we exhibits the predictive evaluation on the skin sensitization for 100 cosmetic ingredients domestically available. In addition, the precise assessment steps were explained as supplementary material. The predicted reliability of data for the skin sensitization is 88.2% when using the data in the highest category of similarity (>60%). When this toolbox finds and uses more than 5 similarities for read-across, the predicted reliability comes to 90%. Conclusively, the predictive ability of OECD Toolbox 4.2 were successfully applied on the hazard assessment on skin sensitization of 100 cosmetic chemicals.

목차

서 론(Introduction)

연구 방법(Research Methods)

결과 및 고찰(Results and Discussion)

결 론(Conclusion)

키워드

QSAR OECD Toolbox hazard assessment skin sensitization evaluation cosmetics