Vinny Davies (University of Glasgow)

will speak on

Computational Metabolomics as a game of Battleships

Time: 12:00PM
Date: Mon 7th February 2022
Location: Online [map]

Abstract: Liquid chromatography (LC) coupled to tandem mass spectrometry (MS/MS) is widely used in identifying small molecules in untargeted metabolomics. Strategies for acquiring data in LC-MS/MS are however very limited and we usually only acquire around 30% of the data available to the detriment of follow-up experiments. In our recent work we have developed a Virtual Metabolomics Mass Spectrometer (ViMMS) which allows us to develop, evaluate and test new data acquisition strategies without the cost of using valuable mass spectrometer time. These methods can be used in simulation or in real experiments through an Application Programming Interface to the mass spectrometer. In this talk I will briefly describe ViMMS, before using the game Battleship to demonstrate and describe the new innovations we are developing using machine learning and statistics.

Join the Zoom call: https://ucd-ie.zoom.us/j/68316324831

(This talk is part of the Statistics and Actuarial Science series.)

PDF notice

Return to all seminars