For the first time, a complete dataset helps identify unknown compounds
Автор: IOCB Prague
Загружено: 2025-09-16
Просмотров: 95
Scientists from the laboratory of Dr. Tomáš Pluskal are helping colleagues around the world identify previously unknown compounds.
They have created an extensive library called MSⁿLib, which contains several million records showing how small molecules “break apart” when measured by mass spectrometry. Until now, comparable databases have expanded only very slowly, but thanks to a new approach developed at IOCB Prague, data on unknown molecules can now be obtained in a matter of minutes.
This opens the potential for faster drug discovery, better monitoring of chemical substances in the environment, and further advances in artificial intelligence for biomedicine. An article about the library has been published in the prestigious journal Nature Methods.
See more ► http://uochb.cz/en/news/732/for-the-f...
Original article
Brungs, C., Schmid, R., Heuckeroth, S., Mazumdar, A., Drexler, M., Šácha, P., Dorrestein, P. C., Petras, D., Nothias, L., Veverka, V., Nencka, R., Kameník, Z., & Pluskal, T. MSnLib: efficient generation of open multi-stage fragmentation mass spectral libraries. Nat. Methods. 2025. https://doi.org/10.1038/s41592-025-02...
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