[Researches on the in silico prediction of structure-activity relationship in the regulatory science sectors]

Requirements of in silico toxicity prediction system are increasing in the chemical risk assessment fields, as well as in toxicity prediction at the early stage of the new drug development process. Recent amended chemical registration rules require internationally the risk assessment of huge amounts of existing chemicals. The (quantitative) structure-activity relationship ((Q)SAR) models are considered to be most effective tools for the acceleration of toxicity evaluation. In Europe or the United State, several research projects for the development of the (Q)SAR models are ongoing. Following this introduction, four researches on development of in silico prediction systems for (Q)SAR in the NIHS are reviewed. These activities must internationally contribute to the integrated chemical risk assessment approaches and/or could assist in the new drug development work.