Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag.

ABSTRACT: Compound (or chemical) databases are an invaluable resource for many scientific disciplines. Exposomics researchers need to find and identify relevant chemicals that cover the entirety of potential (chemical and other) exposures over entire lifetimes. This daunting task, with over 100 million chemicals in the largest chemical databases, coupled with broadly acknowledged knowledge gaps in these resources, leaves researchers faced with too much-yet not enough-information at the same time to perform comprehensive exposomics research. Furthermore, the improvements in analytical technologies and computational mass spectrometry workflows coupled with the rapid growth in databases and increasing demand for high throughput "big data" services from the research community present significant challen

SUBMITTER: Schymanski EL 

PROVIDER: S-EPMC7938590 | biostudies-literature | 2021 Mar

REPOSITORIES: biostudies-literature