Critical Assessment of Small Molecule Identification 2016: automated methods

BACKGROUND: The fourth round of the Critical Assessment of Small Molecule Identification (CASMI) Contest (www.casmi-contest.org) was held in 2016, with two new categories for automated methods. This article covers the 208 challenges in Categories 2 and 3, without and with metadata, from organization...

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Detalhes bibliográficos
Publicado no:J Cheminform
Main Authors: Schymanski, Emma L., Ruttkies, Christoph, Krauss, Martin, Brouard, Céline, Kind, Tobias, Dührkop, Kai, Allen, Felicity, Vaniya, Arpana, Verdegem, Dries, Böcker, Sebastian, Rousu, Juho, Shen, Huibin, Tsugawa, Hiroshi, Sajed, Tanvir, Fiehn, Oliver, Ghesquière, Bart, Neumann, Steffen
Formato: Artigo
Idioma:Inglês
Publicado em: Springer International Publishing 2017
Assuntos:
Research Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5368104/
https://ncbi.nlm.nih.gov/pubmed/29086042
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-017-0207-1
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