New AI tool maps the hidden universe of small molecules
Researchers at Cornell University and the Boyce Thompson Institute have developed an AI tool called AIMe to identify small molecules in biological samples. By using neuro-symbolic AI, the tool maps chemical space to help scientists overcome the difficulty of identifying unknown compounds.
Why it matters
This technology could significantly accelerate drug discovery and biomedical research by solving a persistent bottleneck in mass spectrometry analysis.
edited by Gaby Clark , reviewed by Robert Egan
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Add as preferred source Screenshot of AIMe tool. Credit: Frank Schroeder, Boyce Thompson Institute The human body and its gut microbiome produce thousands of small molecules that shape how the body functions—influencing immunity, metabolism and more. Identifying what those molecules actually are has been one of the biomedical sciences' most persistent bottlenecks. More than 80% of compounds detected in a typical biological sample cannot be matched to any known structure using current methods.
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