Critical Assessment of Small Molecule Identification 2016: automated methods

Journal of Cheminformatics

Volumn 9, Issue 1, 2017, Pages

  Schymanski, Emma L ^a   Ruttkies, Christoph ^b   Krauss, Martin ^c   Brouard, Céline ^d,e   Kind, Tobias ^f   Dührkop, Kai ^g   Allen, Felicity ^h   Vaniya, Arpana ^f   Verdegem, Dries ⁱ   Böcker, Sebastian ^g   Rousu, Juho ^d,e   Shen, Huibin ^d,e   Tsugawa, Hiroshi ^j   Sajed, Tanvir ^h   Fiehn, Oliver ^f,k   Ghesquière, Bart ⁱ   Neumann, Steffen ^b  

^a SWISS FEDERAL INSTITUTE OF AQUATIC SCIENCE AND TECHNOLOGY   (Switzerland)

^b LEIBNIZ INSTITUTE OF PLANT BIOCHEMISTRY   (Germany)

^c HELMHOLTZ CENTRE FOR ENVIRONMENTAL RESEARCH UFZ   (Germany)

^d AALTO UNIVERSITY   (Finland)

^e HELSINKI INSTITUTE FOR INFORMATION TECHNOLOGY   (Finland)

^f UNIVERSITY OF CALIFORNIA   (United States)

^g FRIEDRICH SCHILLER UNIVERSITY JENA   (Germany)

^h UNIVERSITY OF ALBERTA   (Canada)

ⁱ UNIVERSITY OF LEUVEN   (Belgium)

^j Elements Chemistry Laboratory   (Japan)

^k KING ABDULAZIZ UNIVERSITY   (Saudi Arabia)

more..

Author keywords

Compound identification; High resolution mass spectrometry; In silico fragmentation; Metabolomics; Structure elucidation

Indexed keywords

EID: 85016274882     PISSN: None     EISSN: 17582946     Source Type: Journal    
DOI: 10.1186/s13321-017-0207-1     Document Type: Article

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