Database
FCCgroup
An automated chemical grouping application to avoid regrettable substitution
About FCCgroup
FCCgroup offers a systematic and transparent way to organize chemicals into predefined, expert-informed groups based on structural similarity. It is a chemical grouping tool that (1) identifies chemicals used or present in food contact materials, (2) checks for their known hazards, and (3) assigns them into groups using structure-based pattern matching. It can structure large chemical datasets and support data management, communication, and targeted follow-up work.
The full FCCgroup methodology is transparent with its scientific basis and workflow described in the accompanying peer-reviewed publication. It includes grouping definitions and mapping rules as well as the application’s full code.
In the FCCgroup app below, users can explore 38 priority groups. These groups have a high share of known hazardous chemicals and include ortho-phthalates, PFASs, alkyl phenols, organophosphates, isocyanates, primary aromatic amines, and others. Many additional chemical groups and grouping approaches can be found within the separately published python library.
Background
Current food contact material (FCM) regulations do not sufficiently protect consumers’ health because 87% of chemicals lack adequate data to consider the wide range of health impacts that can occur. Until these food contact chemicals can be properly tested and the missing data are made available, a grouping approach can be used to efficiently prioritize potentially hazardous chemicals based on their chemical structure.
Previously, some hazardous chemicals in FCMs have been replaced by structurally similar alternatives that were assumed to be safer but later raised similar safety concerns. This is a process known as regrettable substitution. FCCgroup helps prevent this by organizing chemicals into predefined, expert-informed groups, making it easier to identify chemicals that belong to groups with known hazard properties even when data on individual substances are limited.
The Benefits of FCCgroup
The FCCgroup app can be applied across large chemical inventories to identify priority groups and help decision makers make more informed decisions:
- Help address 38 priority groups of chemicals. These groups have a high share of known hazardous chemicals and include ortho-phthalates, PFASs, alkyl phenols, organophosphates, isocyanates, primary aromatic amines, and others.
- Prevent regrettable substitutions. There are 3,547 food contact chemicals within these 38 priority groups. This means they are structurally similar to known hazardous chemicals and therefore could become regrettable substitutes.
- Protect consumers sooner. Current food contact regulations look at chemicals one-by-one, which is inefficient and ineffective given the major data gaps for important health endpoints. Using a group-based approach to address major existing data gaps can reduce the number of regulatory processes needed and ultimately better protect consumer health sooner.
Use the Application
Launch webinar
On September 7, 2026, the FCCgroup tool and the research behind it were presented in a webinar.
- Lead author Dr. Helene Wiesinger explained what grouping is and how it can be used to avoid regrettable substitution.
- Co-author and developer Albert Anguera Sempere gave a brief demo of the tool and showed how it can be used.
- Co-author Dr. Jane Muncke provided an outlook and where to go from here with all this information.
Citations
Prioritizing and Grouping Food Contact Chemicals: From Chaos to Clarity
Wiesinger, H., Parkinson, L. V., Geueke, B., Anguera Sempere, A., Boucher, J., Cabane, E., Scheringer, M, Muncke, M. (2026). Prioritizing and Grouping Food Contact Chemicals – From chaos to clarity. Environmental Science & Technology, DOI: 10.1021/acs.est.5c15186
Grouping Definitions and Mapping Rules
Wiesinger, H., Parkinson, L. V., Geueke, B., Anguera Sempere, A., Boucher, J., Cabane, E., Scheringer, M, Muncke, M. (2026). Grouping Definitions and Mapping Rules. Zenodo. DOI: 10.5281/zenodo.20747119
FCCgroup GitHub repository
Anguera Sempere, A., & Wiesinger, H. (2026). FCCgroup: Chemical Grouping and Classification Package.
FCCgroup app GitHub repository
Anguera Sempere, A., & Wiesinger, H. (2026). FCCgroup app: Chemical Grouping and Classification Package.
