Revolutionizing Chemistry: AI Tool Verifies Structures with NMR and IR Spectroscopy
Автор: The Global View
Загружено: 2025-11-07
Просмотров: 1
Описание:
Automated chemical structure verification tool
Combines infrared and NMR spectroscopy data
For rapid verification of chemical structures
Industry-academia collaboration between University of Cambridge and AstraZeneca
Uses density functional theory to predict spectra
Scores candidates for accurate structure identification
Infrared data as informative as NMR
Potential to prioritize IR for structure analysis
Advances in organic chemistry automation
Future improvements with machine learning and mass spectrometry
Perfect for organic chemists handling high-throughput synthesis
Explore how this tool speeds up structure verification
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