Impurity Profiling Suite

The Impurity Profiling Suite is designed to assess the safety profile of pharmaceutical impurities by predicting genotoxic and carcinogenic endpoints. It aligns with ICH M7(R2) guidelines, facilitating regulatory compliance and submission preparation. Developed in collaboration with the FDA, this software evaluates 21 toxicological endpoints, including mutagenicity, clastogenicity, DNA damage, carcinogenicity, and endocrine disruption mechanisms.

The suite identifies potentially hazardous structural fragments responsible for carcinogenic and genotoxic activity, providing insights into toxic effects and assessing prediction reliability. It uses curated public and regulatory data, identifying 67 alerting groups of toxicophores, with 53 related to DNA damage mechanisms and 14 to non-genotoxic carcinogens.

Key Features

• Predicts ICH M7(R2) classifications for impurities and degradants.
• Calculates toxicological endpoints from molecular structures, SMILES strings, and other formats.
• Includes probabilistic and knowledge-based models following OECD validation principles.
• Offers a weight of evidence approach for inconclusive classifications.
• Accepted by FDA, EMA, and other regulatory bodies.

The software allows quick toxicity assessments for single or multiple compounds, reducing the need for experimental genotoxicity testing. It is cost-effective for organizations of all sizes, offering a spreadsheet workspace for sorting, filtering, plotting, and ranking results.

Deployment and Integration

Available as a Windows-based application, the Impurity Profiling Suite can be installed on individual computers or accessed via a network. It supports batch reporting and integrates with existing web services for custom model deployment.

Overall, the Impurity Profiling Suite provides a comprehensive solution for evaluating the safety of pharmaceutical impurities, ensuring compliance with international guidelines and supporting efficient regulatory submissions.