Quality criteria for the development and application of (Q)SARs and further in silico methods

The use of in silico methods (e.g. (Quantitative) Structure-Activity Relationships ((Q)SAR) models) as an alternative to experimental data for hazard assessment of chemicals is increasingly adopted in various regulatory sectors. However, the reliability of results obtained by such methods is sometimes unclear or low; thus, their acceptance by authorities, in the scope of regulatory decision-making, remains a challenging issue. A good practice of these methods, regardless of the regulatory sector, is therefore crucial. The poster shows, based on our experience, what the different actors (i.e. model developers, authorities, regulatory bodies and industry) need to contribute in order to overcome the barriers of acceptance of the results produced by in silico methods. This information will subsequently support end users to appropriately evaluate and qualitatively document the obtained predictions. Emphasis is given on (Quantitative) Structure-Activity Relationships models.

I.J. Adaktylou, A. Gerloff-Elias, R. Gonella Diaza
knoell Germany GmbH, Mannheim, Germany

Event: SETAC Europe 2019, Helsinki, Finland