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Environmental Detective Work: Environmental Cheminformatics and the Exposome
Schymanski, Emma


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Abstract :
[en] The multitude of chemicals to which we are exposed is ever increasing, with over 110 million chemicals in the largest open chemical databases, over 350,000 in global use inventories, and over 70,000 estimated to be in household use alone. Detectable molecules in exposomics can be captured using non-target high resolution mass spectrometry (HRMS), but despite the size of the chemical space, scientists cannot yet identify most of the tens of thousands of features in each sample, leading to critical bottlenecks in identification and data interpretation. This talk will cover European and worldwide community initiatives and resources to help connect environmental expert knowledge and observations towards a better understanding of the exposome, including various open cheminformatics and computational mass spectrometry approaches such as the NORMAN Suspect List Exchange, MassBank, MetFrag and PubChemLite for Exposomics.
Disciplines :
Life sciences: Multidisciplinary, general & others
Author, co-author :
Schymanski, Emma  ;  University of Luxembourg > Luxembourg Centre for Systems Biomedicine (LCSB)
Language :
Title :
Environmental Detective Work: Environmental Cheminformatics and the Exposome
Publication date :
10 January 2022
Event name :
WiSe Colloquium, Göthe University Frankfurt
Event date :
Audience :
Focus Area :
Systems Biomedicine
FnR Project :
FNR12341006 - Environmental Cheminformatics To Identify Unknown Chemicals And Their Effects, 2018 (01/10/2018-30/09/2023) - Emma Schymanski
Available on ORBilu :
since 10 January 2022


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