Angewandte Chemie International Edition· 2026Q1
Practical Computational Exploration of Chemical Reaction Space: Assessing the Chemical Stability of Active Pharmaceutical Ingredients Under Acidic Conditions
- 1citations
- Q1SCImago
- 2026year
Short summary
A new automated workflow uses physics-based calculations (metadynamics, DFT, microkinetics) to discover and predict chemical degradation products of APIs under acidic conditions, without needing predefined reaction rules.
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