MultiCASE Q&A
Q: What type of in silico prediction software does Affygility Solutions use?
IMPORTANT: In silico assessment are only useful for compounds with molecular weights less than 1000 daltons.
A: For in silico prediction of genotoxicity and mutagenicity only, Affygility Solutions uses MultiCASE software. This software is an expert rule-based model for genotoxicity and bacterial mutagenicity and are based on the experimental data from Ames assays. The models cover both expert-rule and statistical methodologies for complete ICH M7 compliance. The output of the analysis identifies any structurally similar analogs and deactivating features.
It should be noted, that the output of the in silico analysis will be the same whether for occupational safety or for clinical development.
Q: What is a MultiCASE report, and why is it necessary?
A: MultiCASE is an in silico prediction software designed to assess the genotoxicity and mutagenicity of compounds, aiding the determination of the appropriate Occupational Health Categorization (OHC). This tool is particularly crucial for early-stage or novel compounds, as well as intermediates lacking genotoxicity data, ensuring the occupational safety of workers and the prevention of cross-product contamination. For such early stage compounds, safety data sheets (SDS) or AMES assay results are often unavailable for such compounds. Depending on the available data, our toxicologists will determine if a MultiCASE is necessary.
Requesting for an OHC report without MultiCASE may result in a higher OHC band assignment due to limited available data. Hence, it is advisable to include a MultiCASE report with an OHC request. Clients have the option to reassess the OHC assignment at a later stage when genotoxicity data becomes available. Notably, Affygility Solutions provides these MultiCASE reports and they are widely accepted by regulatory bodies such as FDA and EMA.
Q: Is there a guarantee of favorable results when using MultiCASE?
A: While utilizing the in silico software developed by MultiCASE for compound and impurity evaluation, there is no assurance of obtaining favorable results within the intended scope. In some instances, the output may fall outside the expected domain or yield a high probability of being genotoxic. We still charge the clients for running the application as the resources and expertise in running the software are expended.
Q: What information is required to generate a MultiCASE report?
A: We require the compound’s structure or SMILES line notation to provide a comprehensive MultiCASE report. There are exceptions, though; vaccines, for example, do not necessitate the use of MultiCASE.