Uncovering molecular stability patterns through advanced data analysis

Challenge: Improving post-sterilization instability in oligonucleotides

Our client’s oligonucleotide products were experiencing post-sterilization instability following Terminal Sterilization (TS). The underlying causes were complex, involving interactions between sterilization parameters and molecular structural changes.

To address the issue, the client needed a more targeted approach to data collection and analysis. However, limited internal data made it difficult to understand which structural factors most affected stability. After recognizing a shortage of internal data, the client turned to data science to determine what data to collect and how much to collect. Data from this study would be used to evaluate the oligonucleotide structure’s impact on stability and to inform future stability-enhancing strategies.

How we helped

We conducted a detailed data analysis to identify the impact of experimental conditions on post-TS stability. We isolated key parameters of interest and designed a data collection protocol that maximizes insight extraction from stability factors. Next, we assessed the structural impact using three levels of resolution decomposition and monitored how the given structure prevalence affected the overall molecule integrity. Lastly, we modeled stability evolution as a function of its structural composition, showing the dynamics at work.

The impact: Building scientific confidence through data-driven insights

By applying advanced data analytics, we helped our client turn complex chemical behavior into actionable knowledge. This approach strengthened experimental design, improved data quality, and provided a foundation for smarter, more predictive stability testing in the future.

• Identified unstable structures post-sterilization and key conditions for improved data collection.
• Uncovered a correlation between chemical stability and molecular structure.
• Beyond improving the client’s data and process reliability, we helped them build a more robust, regulatory-aligned, and cost-efficient analytical framework, strengthening the foundation for scalable and compliant manufacturing processes.