About Us
Sean Li is the principal researcher at MoleClue. He is currently a final-year PhD candidate at the University of Western Australia, and a recipient of the prestigious Forrest Scholarship. His research lies on the intersection of chemistry and computer science, and involves the development of computational models, to allow for the de-novo (library-independent) identification of compounds from its mass spectrum.
Research
- Li, S., Bohman, B., and Jayatilaka D. ‘Enumerating Possible Molecular Formulae in Mass Spectrometry Using a Generating Function Based Method’ MATCH Commun. Math. Comput. Chem 88(2), 321 (2022) https://doi.org/10.46793/match.88-2.321L
- Li, S., Bohman, B., Flematti, G.R. et al. Determining the parent and associated fragment formulae in mass spectrometry via the parent subformula graph. J Cheminform 15, 104 (2023). https://doi.org/10.1186/s13321-023-00776-y
Contact
To get in touch with MoleClue, please email Sean at [email protected].