On the role of digital tools in nitrosamine risk assessment for drug substance and drug product manufacturing processes

Abstract

Nitrosamine risk assessments are useful to identify processes and/or materials that exhibit legitimate safety concerns to evaluate appropriate actions and controls. Fundamental understanding of nitrosamine toxicity, formation pathways, fate, and purge aid risk quantification. In this work, available digital tools to aid nitrosamine risk assessments are reviewed. From structure–activity relationships through kinetic models to purge factors, these tools can shed light on the various aspects of a nitrosamine risk assessment. While tremendous progress has been made over the last few years, industry, academia, and government still need to focus on supporting science-based decisions and the integration of diverse tools to provide a holistic view of the nitrosamine risk.