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

Schymanski, Emma L; Kondic, Todor; Neumann, Steffen; Thiessen, Paul A; Zhang, Jian; Bolton, Evan E

Schymanski, Emma L; Kondic, Todor; Neumann, Steffen; Thiessen, Paul A; Zhang, Jian; Bolton, Evan E.

Afiliação

Schymanski EL; Luxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, 6 avenue du Swing, 4367, Belvaux, Luxembourg. emma.schymanski@uni.lu.
Kondic T; Luxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, 6 avenue du Swing, 4367, Belvaux, Luxembourg.
Neumann S; Bioinformatics and Scientific Data, Leibniz Institute of Plant Biochemistry (IPB Halle), 06120, Halle, Germany.
Thiessen PA; German Centre for Integrative Biodiversity Research (iDiv), Halle-Jena-Leipzig, Deutscher Platz 5e, 04103, Leipzig, Germany.
Zhang J; National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD, 20894, USA.
Bolton EE; National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD, 20894, USA.

J Cheminform ; 13(1): 19, 2021 Mar 08.

Article em En | MEDLINE | ID: mdl-33685519

Palavras-chave

Chemical database; Cheminformatics; Compound database; Compound knowledge base; Environmental science; Exposomics; FAIR; High resolution mass spectrometry; Identification; Open science

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article