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discovery from small molecule mass spectrometry (e.g., https://www.nature.com/articles/s41586-025-09969-x, https://www.nature.com/articles/s42256-021-00407-x, https://www.nature.com/articles/s42256-024-00821
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of existing AI/ML tools to assign structures to unidentified peaks in metabolomic datasets (e.g., https://www.nature.com/articles/s42256-021-00407-x ), and extending these tools or developing new models as
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