While processes are still being put into place for basing chemical regulatory decisions on non-animal data, in vitro and in silico methods can be used to strengthen chemical dossiers that are based primarily on animal data as well as allow early identification and characterization of adverse effects of industrial chemicals during the product development cycle. Strategies to incorporate the use of non-animal data into regulatory decision making reduce uncertainties in risk assessments while accelerating the introduction of innovative, sustainable products to the market. However, there are two challenges in using these approaches: 1) The uncertainty of currently available models in predicting outcomes of the endpoints of interest due to the lack of data available for novel chemistries, and 2) the selection of an in vitro or in vivo test or combination that is suitable for prediction of the candidate endpoints. This presentation will describe two cases studies. The first case study will describe the utility of in silico and in vitro technologies to address key areas of uncertainty in the risk assessment process. The second case study will describe the evaluation of several software packages to determine their ability to accurately predict mutagenicity, skin sensitization and ready biodegradability when compared to experimental results for nitroparaffin (NP) and NP-derivatives molecules and how the results were used to develop an early-stage screening evaluation for comparison of new molecules.

Strategies for incorporating in silico and in vitro approaches into the safety evaluation of existing and new products

255th National Meeting (2018)

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