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

The hazard testing on each chemicals which are continuously synthesized is too much task to meet the rapidindustrial development. Currently, national administrative office also prohibited the distribution and sale of cosmeticproducts under animal testing. Therefore, as an alternative hazard evaluation method, a variety of in silico programs havebeen developed and applied to predict the chemical hazard assessment. The OECD Toolbox program which database isdonated from many chemical companies and regulatory authorities of OECD nations is an excellent free software withcomparable hazard prediction ability. In this study, we exhibits the predictive evaluation on the skin sensitization for 100cosmetic ingredients domestically available. In addition, the precise assessment steps were explained as supplementarymaterial. The predicted reliability of data for the skin sensitization is 88.2% when using the data in the highest categoryof similarity (>60%). When this toolbox finds and uses more than 5 similarities for read-across, the predicted reliabilitycomes to 90%. Conclusively, the predictive ability of OECD Toolbox 4.2 were successfully applied on the hazardassessment on skin sensitization of 100 cosmetic chemicals. KCI Citation Count: 0