Impurity Prediction
Keeping Impurities in Check for a Smoother Drug Development Process
In drug development, spotting and classifying potential impurities early can make all the difference, but traditional methods rely on slow, manual analysis, costing chemists valuable time.
To accelerate research and streamline production, ChemAIRS®' AI-driven impurity prediction provides a faster, more reliable alternative.
How ChemAIRS Supports Impurity Prediction
AI-Powered Impurity Identification
ChemAIRS analyzes chemical reactions at a level comparable to an expert chemist, predicting impurity structures with over 90% accuracy. This ensures early detection, reducing the need for extensive trial-and-error analysis.
Rapid Structural Elucidation
Using AI algorithms, ChemAIRS identifies impurity structures and formation pathways within minutes, significantly improving research efficiency. What previously required hours or even days of manual work can now be done in record time.
Real-World Application in Impurity Studies
ChemAIRS' predictive capabilities were tested against literature data on the tachykinin receptor antagonist TKA731, where impurity formation during BOC group deprotection was analyzed.
Traditionally, resolving these impurities required purification and extensive characterization, such as NMR spectroscopy. With ChemAIRS, the formation routes and impurity structures were predicted within minutes, dramatically reducing research time.