Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag

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 milli...

Full description

Bibliographic Details
Main Authors: Emma L. Schymanski, Todor Kondić, Steffen Neumann, Paul A. Thiessen, Jian Zhang, Evan E. Bolton
Format: Article
Language:English
Published: BMC 2021-03-01
Series:Journal of Cheminformatics
Subjects:
Chemical database
Compound database
Compound knowledge base
Cheminformatics
High resolution mass spectrometry
Identification
Online Access:https://doi.org/10.1186/s13321-021-00489-0

Internet

https://doi.org/10.1186/s13321-021-00489-0

Similar Items