Chemometric methods (e.g., PCA and cluster analysis) are employed to group compounds into clusters of similar compounds. Similarity is assessed accounting for structural, physico-chemical and biological (e.g., MoA) properties.
- Selection of representative compounds to optimize hazard assessment
- Read-across studies based on category approach
- Report documenting grouping approach and results
- Report documenting read-across study in compliance with regulatory requirements (OECD, ECHA, EFSA)