Environmental Detective Work: Environmental Cheminformatics and the Exposome

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.