In silico chemical testing is a useful tool for chemical prioritization in chemical risk assessment. So far, the use of in silico modeling in food safety was limited by the lack of an adequate 3D chemical structure database of chemicals relevant for food. Researchers from the University of Parma and Modena now published a freely available 3D database of food additives including information on identity and application. The Food Packaging Forum reports on their recent publication in Food Additives & Contaminants: Part A. The database is a useful tool to screen food relevant chemicals for biological activity and may advance the prioritization of chemical risk assessment in the area of food safety.
FPF article “Freely available dataset for 3D in silico modeling”